SCHEMBL11264282

SCHEMBL11264282

Cc1cc(C)cc(CC2(CCCn3ccnc3)SCCC(C)S2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
PRKCI P41743 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
QPCT Q16769 2/20 0.36

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
SCHEMBL11255945 0.90 QPCT (0.43) CYP11B1CYP11B2PRKCIKDM4EALDH1A1
SCHEMBL11259980 0.86 QPCT (0.41) CYP11B1CYP11B2PRKCIKDM4EALDH1A1
SCHEMBL11254671 0.86 CYP11B1 (0.47) CYP11B1CYP11B2KMT2AMEN1PRKCI
SCHEMBL11259583 0.84 HMOX1 (0.42) CYP11B1CYP11B2ALDH1A1QPCT
SCHEMBL11265390 0.84 CYP11B1 (0.45) CYP11B1CYP11B2KMT2AMEN1PRKCI
SCHEMBL11260497 0.83 CYP19A1 (0.42) PRKCI
SCHEMBL11260803 0.83 CYP11B1 (0.46) CYP11B1CYP11B2KMT2AMEN1KDM4E
SCHEMBL10780110 0.82 TBXAS1 (0.42) KMT2APRKCIQPCT
SCHEMBL11267726 0.82 MAPK1 (0.39) KMT2AMEN1PRKCIALDH1A1HTT
SCHEMBL11272520 0.81 CYP11B1 (0.51) CYP11B1CYP11B2KMT2AMEN1PRKCI

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