SCHEMBL11262057

SCHEMBL11262057

CCCCC1CSC(CCn2ccnc2)(Cc2ccc(OC)cc2)S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 3/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 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 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL11253439 0.95 MEN1 (0.44) MEN1KMT2AATMTSHRTP53
SCHEMBL11264351 0.92 CYP3A4 (0.43) MEN1KMT2AATMTSHRTP53
SCHEMBL11263441 0.91 MEN1 (0.41) MEN1KMT2AATMTSHRTP53
SCHEMBL11256030 0.91 TBXAS1 (0.39) MEN1KMT2AATMTSHRTP53
SCHEMBL11266114 0.91 MEN1 (0.43) MEN1KMT2AATMTSHRTP53
SCHEMBL11261626 0.91 QPCT (0.38) QPCTTBXAS1CYP19A1ALDH1A1KDM4E
SCHEMBL11265825 0.90 CYP19A1 (0.40) TSHRTDP1QPCTTBXAS1CYP19A1
SCHEMBL11269136 0.89 CYP2A6 (0.40) TSHRTP53CYP19A1ALDH1A1KDM4E
SCHEMBL11256558 0.89 CYP1A2 (0.37) KMT2ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11255293 0.87 MEN1 (0.47) MEN1KMT2AATMTSHRTP53

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