SCHEMBL9476299

SCHEMBL9476299

CSc1ncccc1/C=C(/C(C)=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ATM Q13315 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9476304 1.00 RAB9A (0.41) RAB9AL3MBTL1TSHRCASP3SENP8
SCHEMBL10897711 0.78 KDM4E (0.43) RAB9AL3MBTL1TSHRCASP3SENP8
SCHEMBL11760944 0.78 KDM4E (0.45) RAB9AL3MBTL1TSHRKMT2ACYP1A2
SCHEMBL11760938 0.78 KDM4E (0.45) RAB9AL3MBTL1TSHRKMT2ACYP1A2
SCHEMBL5569624 0.75 RAB9A (0.40) RAB9AL3MBTL1TSHRCASP3SENP8
SCHEMBL5569627 0.75 RAB9A (0.40) RAB9AL3MBTL1TSHRCASP3SENP8
SCHEMBL9476996 0.74 CYP1A2 (0.46) L3MBTL1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9477003 0.74 CYP1A2 (0.46) L3MBTL1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL1255150 0.73 TRIM24 (0.52) RAB9AL3MBTL1TSHRCASP3SENP8
SCHEMBL20954574 0.71 KDM4E (0.36) RAB9AKMT2ACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5202330-A Hypotensive and cardiovascular agent, reduces blood pressure in mammals E. R. SQUIBB & SONS, INC. (US) 1993-04-13 — — US disclosed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 — — EP disclosed
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