SCHEMBL8596343

SCHEMBL8596343

Cc1cc(N=C=O)ccc1-c1ccccc1-c1ccc(N=C=O)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.55
TRPA1 O75762 1/20 0.55
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
SENP2 Q9HC62 2/20 0.39
SENP1 Q9P0U3 2/20 0.39
SUMO2 P61956 1/20 0.39
SUMO1 P63165 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
TSHR P16473 2/20 0.38
SENP3 Q9H4L4 1/20 0.38
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34

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
SCHEMBL667517 0.92 CYP3A4 (0.62) CYP3A4TRPA1TDP1MAPK1SENP2
SCHEMBL8973448 0.86 CYP3A4 (0.51) CYP3A4TRPA1TDP1MAPK1SENP2
SCHEMBL18126138 0.84 CYP3A4 (0.53) CYP3A4TRPA1TDP1MAPK1SENP2
SCHEMBL29808709 0.83 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1SENP2
SCHEMBL8596339 0.83 CYP3A4 (0.56) CYP3A4TRPA1TDP1MAPK1SENP2
SCHEMBL543864 0.81 CYP3A4 (0.55) CYP3A4TRPA1TDP1MAPK1SENP2
SCHEMBL8664104 0.80 CYP3A4 (0.49) CYP3A4TRPA1TDP1MAPK1SENP2
SCHEMBL58809 0.78 CYP3A4 (0.70) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL28448245 0.78 TDP1 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL28562992 0.78 TDP1 (0.56) CYP3A4TRPA1TDP1MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240301124-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-09-12 US claimed
US-20240141093-A1 Polyol and a Process for the Preparation Thereof BASF SE (DE) 2024-05-02 US claimed
EP-4308629-A1 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2024-01-24 EP claimed
WO-2022194979-A9 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2023-07-20 WO claimed
US-20230092952-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-23 US claimed
US-20230062261-A1 POLYUREA COPOLYMER BASF SE (DE) 2023-03-02 US claimed
EP-4077454-A1 POLYUREA COPOLYMER BASF SE (DE) 2022-10-26 EP claimed
EP-4077438-A1 POLYUREA COPOLYMER BASF SE (DE) 2022-10-26 EP claimed
WO-2021122472-A1 POLYUREA COPOLYMER BASF SE (DE) 2021-06-24 WO claimed
WO-2021122480-A1 POLYUREA COPOLYMER BASF SE (DE) 2021-06-24 WO claimed
US-20240301124-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-09-12 US disclosed
US-20240141093-A1 Polyol and a Process for the Preparation Thereof BASF SE (DE) 2024-05-02 US disclosed
WO-2024064691-A1 SYSTEM AND METHOD FOR PFAS CONTAINMENT BASF SE (DE) 2024-03-28 WO disclosed
EP-4308629-A1 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2024-01-24 EP disclosed
EP-4305085-A1 POLYUREA COPOLYMER BASF SE (DE) 2024-01-17 EP disclosed
EP-0407994-A1 Lightweight flexible imide foam and method of producing same MANVILLE CORPORATION (US) 1991-01-16 EP disclosed
US-4980387-A Reaction product of polyisocyanate and mixture of difunctional acids and anhydrides in presence of tertiary amine triazine catalyst MANVILLE CORPORATION (US) 1990-12-25 US disclosed
US-4203875-A CURED POLYURETHANE PROTECTIVE COATING GROW CHEMICAL CORP. (US) 1980-05-20 US disclosed
US-4070509-A APPLYING POLYURETHANE COATING TO SUBSTRATE AND CURING SAME GROW CHEMICAL CORPORATION (US) 1978-01-24 US disclosed
US-3998768-A Thermosetting powder coating composition of a blend of acrylic polymers having different glass transition temperatures and a blocked polyisocyanate cross-linking agent E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-12-21 US disclosed