SCHEMBL11267828

SCHEMBL11267828

CCC1CCSC(CCn2ccnc2)(Cc2ccc(OC)cc2)S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
QPCT Q16769 3/20 0.39
CYP19A1 P11511 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
MTOR P42345 1/20 0.39
RAB9A P51151 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAOB P27338 1/20 0.38
GMNN O75496 1/20 0.38

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
SCHEMBL11263441 0.91 MEN1 (0.41) MEN1KMT2AATMQPCTCYP19A1
SCHEMBL11266114 0.90 MEN1 (0.43) MEN1KMT2AATMQPCTCYP19A1
SCHEMBL11262886 0.89 CYP19A1 (0.41) QPCTCYP19A1TSHRALDH1A1LMNA
SCHEMBL11266390 0.88 HMOX1 (0.42) CYP19A1CYP11B1
SCHEMBL11262771 0.88 CYP1A2 (0.39) KMT2AQPCTCYP19A1CYP1A2CYP3A4
SCHEMBL11261555 0.86 KMT2A (0.40) MEN1KMT2AQPCTCYP19A1TP53
SCHEMBL11265536 0.86 MEN1 (0.43) MEN1KMT2AATMQPCTCYP19A1
SCHEMBL11269327 0.86 HMOX1 (0.41) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11261162 0.86 MEN1 (0.50) MEN1KMT2AATMQPCTCYP19A1
SCHEMBL11255293 0.85 MEN1 (0.47) MEN1KMT2AATMQPCTCYP19A1

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