SCHEMBL11265152

SCHEMBL11265152

CCC1CSC(Cc2ccccc2Cl)(Cn2ccnc2)SC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP11B1 P15538 4/20 0.37
CYP17A1 P05093 3/20 0.37
CYP21A2 P08686 3/20 0.37
CYP11B2 P19099 2/20 0.37
TSHR P16473 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
TBXAS1 P24557 1/20 0.35
QPCT Q16769 1/20 0.35
CYP4Z1 Q86W10 1/20 0.35

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
SCHEMBL11269138 0.88 TSHR (0.42) CYP19A1ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL11269111 0.87 ADRA2C (0.41) CYP19A1ALDH1A1ALOX15CYP11B1CYP17A1
SCHEMBL11256490 0.84 CYP11B1 (0.43) CYP19A1ALOX15CYP11B1CYP17A1CYP11B2
SCHEMBL11273412 0.83 CYP19A1 (0.42) CYP19A1ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL11257432 0.82 CYP2A6 (0.47) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11260937 0.81 CYP19A1 (0.36) CYP19A1ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL11261708 0.80 TP53 (0.38) CYP19A1CYP11B1CYP11B2QPCTHMOX1
SCHEMBL11253398 0.79 ALDH1A1 (0.41) CYP19A1ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL10782816 0.78 CYP11B1 (0.42) ALDH1A1CYP11B1CYP11B2TBXAS1
SCHEMBL11261520 0.78 HMOX1 (0.40) CYP19A1ALDH1A1ALOX15MAPK1HSD17B10

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