SCHEMBL11262841

SCHEMBL11262841

COc1ccc(C2(CCn3ccnc3)SCC(C)S2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
QPCT Q16769 4/20 0.45
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
MAOB P27338 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 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
SCHEMBL11273285 0.88 QPCT (0.41) MEN1KMT2AQPCTALDH1A1TSHR
SCHEMBL11262210 0.87 KMT2A (0.45) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11264122 0.87 TP53 (0.41) QPCTALDH1A1TSHRKDM4ECYP19A1
SCHEMBL11269340 0.86 CYP19A1 (0.40) MEN1KMT2AQPCTMAPTCYP19A1
SCHEMBL11267320 0.86 QPCT (0.39) QPCTCYP19A1
SCHEMBL11269325 0.85 KMT2A (0.45) MEN1KMT2AQPCTALDH1A1MAPT
SCHEMBL11266893 0.85 MEN1 (0.46) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11267534 0.84 MEN1 (0.52) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11263602 0.84 KMT2A (0.44) MEN1KMT2AATMQPCTALDH1A1
SCHEMBL11253436 0.82 MEN1 (0.50) MEN1KMT2AATMQPCTALDH1A1

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