SCHEMBL11270747

SCHEMBL11270747

CCc1ccc(CC2(CCCn3ccnc3)SCC(CC)S2)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.41
PRKCI P41743 1/20 0.38
CYP19A1 P11511 1/20 0.37
HMOX1 P09601 1/20 0.36
TBXAS1 P24557 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL11260023 0.94 QPCT (0.38) QPCTCYP19A1HMOX1TBXAS1KDM4E
SCHEMBL11262883 0.93 QPCT (0.42) QPCTPRKCICYP19A1HMOX1KDM4E
SCHEMBL11262062 0.92 HMOX1 (0.47) PRKCICYP19A1HMOX1KDM4ELMNA
SCHEMBL11257172 0.92 CYP19A1 (0.40) PRKCICYP19A1HMOX1TBXAS1
SCHEMBL11267577 0.92 CYP2A6 (0.41) CYP19A1HMOX1ALDH1A1
SCHEMBL11250043 0.92 CYP19A1 (0.39) QPCTPRKCICYP19A1TBXAS1KDM4E
SCHEMBL11255293 0.90 MEN1 (0.47) QPCTCYP19A1KDM4EALDH1A1LMNA
SCHEMBL11270017 0.90 QPCT (0.42) QPCTPRKCICYP19A1HMOX1TBXAS1
SCHEMBL11258691 0.89 NOS1 (0.44) QPCTPRKCICYP19A1HMOX1
SCHEMBL11273188 0.87 QPCT (0.43) QPCTPRKCICYP19A1HMOX1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed