SCHEMBL7670516

SCHEMBL7670516

COc1ccc(C[O])cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 2/20 0.56
USP2 O75604 1/20 0.56
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
AR P10275 8/20 0.46
MAOB P27338 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA2 P00918 1/20 0.41
ATM Q13315 1/20 0.41
S1PR1 P21453 1/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL7669160 0.89 AR (0.50) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL11158058 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL4549082 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL14045403 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL13461882 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL29805087 0.82 AR (0.58) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL4696820 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL6783952 0.82 KDM4E (0.61) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL1329661 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1
SCHEMBL2020304 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EUSP2IMPDH2IMPDH1

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
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed