SCHEMBL10364624

SCHEMBL10364624

COc1ccc(-c2cc(=O)n(C)c(=O)n2C)cc1SC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP19A1 P11511 3/20 0.39
▸ NQO2 P16083 3/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ MAPT P10636 5/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ S100B P04271 1/20 0.38
▸ HTT P42858 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL10364534 0.86 S100B (0.36) L3MBTL1TSHRCYP19A1NQO2ALDH1A1
SCHEMBL10568294 0.84 TSHR (0.50) L3MBTL1TSHRCYP19A1NQO2ALDH1A1
SCHEMBL10366983 0.78 TSHR (0.49) TSHRCYP19A1NQO2ALDH1A1MAPT
SCHEMBL10366982 0.78 TSHR (0.49) TSHRCYP19A1NQO2ALDH1A1MAPT
SCHEMBL10725957 0.76 PDGFRB (0.45) ALDH1A1MAPTHTT
SCHEMBL10569299 0.74 ALDH1A1 (0.51) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL10564660 0.73 CYP19A1 (0.47) L3MBTL1TSHRCYP19A1NQO2ALDH1A1
SCHEMBL10567603 0.70 KDM4E (0.42) L3MBTL1TSHRCYP19A1ALDH1A1MAPT
SCHEMBL10566461 0.70 CYP19A1 (0.49) L3MBTL1TSHRCYP19A1NQO2ALDH1A1
SCHEMBL10565552 0.69 ALDH1A1 (0.44) L3MBTL1TSHRCYP19A1NQO2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0166564-B1 PYRIMIDONE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-01-31 — — EP disclosed
US-4649142-A 3,4-dihydro-1,3-disubstituted-6-(substituted phenylimino)-2(1H)-pyrimidinone useful as cardiotonic agent and anti-allergic agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-03-10 — — US disclosed
EP-0166564-A2 Pyrimidone derivatives, preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 — — EP disclosed
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