SCHEMBL11263602

SCHEMBL11263602

CCCCC1CSC(CCn2ccnc2)(c2ccc(OC)cc2)S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ATM Q13315 1/20 0.44
QPCT Q16769 4/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 2/20 0.40
MAOB P27338 1/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
TP53 P04637 2/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL11265824 0.91 KMT2A (0.43) KMT2AMEN1ATMQPCTALDH1A1
SCHEMBL11262210 0.90 KMT2A (0.45) KMT2AMEN1ATMQPCTALDH1A1
SCHEMBL11258196 0.89 QPCT (0.40) KMT2AMEN1QPCTALDH1A1TSHR
SCHEMBL11273217 0.88 QPCT (0.39) QPCTALDH1A1MAPTTSHRKDM4E
SCHEMBL11262046 0.88 TBXAS1 (0.39) KMT2AMEN1LMNACYP1A2CYP3A4
SCHEMBL11262841 0.84 MEN1 (0.46) KMT2AMEN1ATMQPCTALDH1A1
SCHEMBL11262057 0.83 MEN1 (0.43) KMT2AMEN1ATMQPCTALDH1A1
SCHEMBL11257033 0.82 KMT2A (0.43) KMT2AMEN1ATMQPCTALDH1A1
SCHEMBL11264351 0.82 CYP3A4 (0.43) KMT2AMEN1ATMQPCTALDH1A1
SCHEMBL11266893 0.82 MEN1 (0.46) KMT2AMEN1ATMQPCTALDH1A1

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