SCHEMBL11257665

SCHEMBL11257665

CC1CSC(CCCc2ccccc2Cl)(Cn2ccnc2)SC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.39
CYP11B1 P15538 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP21A2 P08686 1/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
CYP11B2 P19099 1/20 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
SCHEMBL11261520 0.94 HMOX1 (0.40) HMOX1CYP11B1CYP17A1CYP21A2CYP19A1
SCHEMBL11259593 0.91 HMOX1 (0.38) HMOX1CYP11B1CYP17A1CYP21A2CYP19A1
SCHEMBL11258466 0.85 CYP1A2 (0.42) HMOX1CYP11B1CYP19A1CYP11B2
SCHEMBL11254722 0.84 HMOX1 (0.39) HMOX1CYP11B1CYP17A1CYP21A2CYP19A1
SCHEMBL11258048 0.84 CYP17A1 (0.35) HMOX1CYP11B1CYP17A1CYP21A2CYP19A1
SCHEMBL11256505 0.83 HMOX1 (0.54) HMOX1
SCHEMBL11260891 0.81 HMOX1 (0.43) HMOX1CYP11B1CYP17A1CYP21A2CYP19A1
SCHEMBL11259591 0.81 CYP19A1 (0.42) CYP11B1CYP17A1CYP21A2CYP19A1ALDH1A1
SCHEMBL11260700 0.81 CYP17A1 (0.35) HMOX1CYP11B1CYP17A1CYP21A2CYP19A1
SCHEMBL11260120 0.80 HMOX1 (0.45) HMOX1CYP11B1CYP19A1CYP11B2

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