SCHEMBL11267486

SCHEMBL11267486

CCC1CCSC(CCn2ccnc2)(c2ccc(Cl)cc2)S1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
QPCT Q16769 2/20 0.38
CYP2A6 P11509 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2B6 P20813 1/20 0.38
HMOX1 P09601 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL11258598 0.90 QPCT (0.38) TP53KDM4ETSHRQPCTCYP2A6
SCHEMBL11269871 0.89 TP53 (0.40) TP53KDM4ETSHRQPCTCYP2A6
SCHEMBL11251104 0.89 CYP19A1 (0.38) QPCTCYP19A1CYP11B1CYP11B2
SCHEMBL11257979 0.88 KMT2A (0.42) TP53KDM4EQPCTCYP19A1CYP11B1
SCHEMBL11257033 0.88 KMT2A (0.43) TP53KDM4ETSHRQPCTCYP19A1
SCHEMBL11260083 0.86 LMNA (0.41) TSHRCYP19A1CYP11B1HMOX1ALDH1A1
SCHEMBL11257566 0.84 ALDH1A1 (0.38) TSHRCYP19A1CYP11B1ALDH1A1
SCHEMBL11261776 0.83 TP53 (0.48) TP53KDM4ETSHRQPCTCYP2A6
SCHEMBL11273217 0.82 QPCT (0.39) TP53KDM4ETSHRQPCTCYP2A6
SCHEMBL11267647 0.81 QPCT (0.47) TP53KDM4ETSHRQPCTCYP2A6

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