SCHEMBL11255293

SCHEMBL11255293

CCC1CSC(CCCn2ccnc2)(Cc2ccc(OC)cc2)S1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
QPCT Q16769 3/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 3/20 0.40
GMNN O75496 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
SCHEMBL11266114 0.94 MEN1 (0.43) MEN1KMT2AATMQPCTTSHR
SCHEMBL11253439 0.92 MEN1 (0.44) MEN1KMT2AATMQPCTTSHR
SCHEMBL11270747 0.90 QPCT (0.41) QPCTALDH1A1LMNAKDM4ECYP19A1
SCHEMBL11262883 0.89 QPCT (0.42) QPCTTSHRALDH1A1TDP1KDM4E
SCHEMBL11268918 0.89 MEN1 (0.49) MEN1KMT2AATMQPCTTSHR
SCHEMBL11267577 0.88 CYP2A6 (0.41) TP53ALDH1A1CYP19A1
SCHEMBL11262062 0.88 HMOX1 (0.47) LMNAKDM4ECYP19A1
SCHEMBL11257172 0.88 CYP19A1 (0.40) CYP19A1
SCHEMBL11259421 0.88 CYP19A1 (0.42) MEN1KMT2AATMTSHRCYP1A2
SCHEMBL11250043 0.88 CYP19A1 (0.39) KMT2AQPCTCYP1A2CYP3A4CYP2D6

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