SCHEMBL484026

SCHEMBL484026

O=C=Nc1ccc(Sc2ccccc2N=C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ MAPK1 P28482 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ SLC6A4 P31645 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NSD2 O96028 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30568788 1.00 CYP3A4 (0.40) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL624408 0.87 CYP3A4 (0.44) CYP3A4MAPK1TDP1KDM4ESIRT1
SCHEMBL17847456 0.84 CYP3A4 (0.41) CYP3A4MAPK1TDP1KDM4ESIRT1
SCHEMBL29808667 0.83 CYP3A4 (0.50) CYP3A4TSHRTRPA1TDP1HPGD
SCHEMBL8937141 0.83 CYP3A4 (0.50) CYP3A4TSHRTRPA1TDP1HPGD
SCHEMBL9462259 0.83 CYP3A4 (0.51) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL9462057 0.81 CYP3A4 (0.50) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL5905719 0.81 DHFR (0.40) CYP3A4KDM4ESLC6A4SLC6A2SLC6A3
SCHEMBL17847452 0.80 CYP3A4 (0.42) CYP3A4MAPK1TDP1KDM4ESLC6A4
SCHEMBL332200 0.80 CYP3A4 (0.49) CYP3A4TSHRTRPA1MAPK1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 326 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116751553-A Double-component polyurethane sealant and application thereof in unmanned aerial vehicle field 东莞市博翔电子材料有限公司 2023-09-15 — — CN claimed
US-4849262-A Pigment printing pastes and dyeing liquors containing stable dispersions of finely divided solid polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1989-07-18 — — US claimed
EP-4396248-B1 AQUEOUS POLYURETHANE-UREA DISPERSION COVESTRO DEUTSCHLAND AG (DE) 2025-08-06 — — EP disclosed
US-20240368425-A1 Aqueous Polyurethane-Urea Dispersion COVESTRO DEUTSCHLAND AG (DE) 2024-11-07 — — US disclosed
EP-4396248-A1 AQUEOUS POLYURETHANE-UREA DISPERSION Covestro Deutschland AG (DE) 2024-07-10 — — EP disclosed
US-11767467-B2 Photochromic compound and curable composition containing said photochromic compound TOKUYAMA CORPORATION (JP) 2023-09-26 — — US disclosed
EP-2970554-B1 POLYURETHANES, ARTICLES AND COATINGS PREPARED THEREFROM AND METHODS OF MAKING THE SAME PPG IND OHIO INC (US) 2023-09-20 — — EP disclosed
US-11760831-B2 Polymerizable composition for optical member HOYA LENS THAILAND LTD. (TH) 2023-09-19 — — US disclosed
CN-116751553-A Double-component polyurethane sealant and application thereof in unmanned aerial vehicle field 东莞市博翔电子材料有限公司 2023-09-15 — — CN disclosed
EP-3345954-B1 POLYROTAXANE, PRODUCTION METHOD THEREFOR, AND OPTICAL COMPOSITION CONTAINING SAID POLYROTAXANE TOKUYAMA CORP (JP) 2023-07-05 — — EP disclosed
EP-4174100-A1 AQUEOUS POLYURETHANE-UREA DISPERSION Covestro Deutschland AG (DE) 2023-05-03 — — EP disclosed
EP-0071138-A2 Aromatic and aliphatic sulphur-containing primary amines, preparation thereof and use thereof in the manufacture of polyurethanes BAYER AG (DE) 1983-02-09 — — EP disclosed
US-4348512-A POLYUREA-POLYURETHANE COPOLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 — — US disclosed
EP-0052305-A1 Isocyanato-isocyanurates that contain sulphur, process for their preparation and their use as a component in the preparation of polyurethanes BAYER AG (DE) 1982-05-26 — — EP disclosed
EP-0017883-B1 SULPHUR-CONTAINING DIISOCYANATES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS SYNTHESIS COMPONENTS TO PREPARE POLYURETHANES BAYER AG (DE) 1981-10-21 — — EP disclosed
US-4276386-A LIQUID AT ROOM TEMPERATURE OR LIQUEFIABLE BY GENTLE HEATING BAYER AKTIENGESELLSCHAFT (US) 1981-06-30 — — US disclosed
US-4255570-A POLYURETHANES, POLYUREAS BAYER AKTIENGESELLSCHAFT (DE) 1981-03-10 — — US disclosed
EP-0021077-A1 Urea groups-containing diisocyanates, optionally dissolved in NCO-prepolymers, a process for preparing same as well as their use in the production of polyurethane resins BAYER AG (DE) 1981-01-07 — — EP disclosed
EP-0017883-A1 Sulphur-containing diisocyanates, a process for their preparation and their use as synthesis components to prepare polyurethanes BAYER AG (DE) 1980-10-29 — — EP disclosed
EP-0000893-A1 Process for the preparation of polyisocyanates and their use BAYER AG (DE) 1979-03-07 — — EP disclosed
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