SCHEMBL23033327

SCHEMBL23033327

COC(=O)c1cc(-c2nc3cc(NC(=O)OC(C)(C)C)ccc3o2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.53
▸ KDM4E B2RXH2 8/20 0.49
▸ POLB P06746 3/20 0.49
▸ ALDH1A1 P00352 7/20 0.48
▸ HPGD P15428 5/20 0.48
▸ HSD17B10 Q99714 5/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PTGS2 P35354 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ NCOA2 Q15596 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ TP53 P04637 2/20 0.47

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
SCHEMBL23033325 0.91 ALDH1A1 (0.51) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL23034143 0.86 MAPT (0.71) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL29479624 0.86 MAPT (0.53) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL23012893 0.86 MAPT (0.53) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL29479738 0.85 ALDH1A1 (0.64) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL31165939 0.84 KDM4E (0.64) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL23012520 0.84 KDM4E (0.64) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL23033340 0.83 MAPT (0.53) MAPTKDM4EPOLBALDH1A1NPSR1
SCHEMBL23033654 0.83 MAPT (0.54) MAPTKDM4EPOLBALDH1A1HPGD
SCHEMBL23012730 0.83 AGPAT2 (0.55) MAPTKDM4EALDH1A1HPGDHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289826-A1 SALT AND CRYSTAL FORM OF HA INHIBITOR COMPOUND Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-12-13 — — EP disclosed
EP-4282860-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2023-11-29 — — EP disclosed
WO-2022156737-A1 CRYSTAL FORM OF ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD FOR CRYSTAL FORM, AND USE OF CRYSTAL FORM 四川海思科制药有限公司 2022-07-28 — — WO disclosed
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
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