SCHEMBL11269138

SCHEMBL11269138

CCC1CSC(CCCn2ccnc2)(Cc2ccccc2Cl)SC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.37
PRKCI P41743 1/20 0.37
CYP19A1 P11511 2/20 0.36
TDP1 Q9NUW8 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
SCHEMBL11263546 0.88 MAPT (0.39) LMNACYP19A1
SCHEMBL11265152 0.88 CYP19A1 (0.39) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL11255931 0.87 TSHR (0.42) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL11252643 0.86 TSHR (0.47) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL11264763 0.83 TSHR (0.39) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL11253398 0.82 ALDH1A1 (0.41) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL11273188 0.81 QPCT (0.43) ALDH1A1LMNAPRKCICYP19A1
SCHEMBL10782742 0.80 TBXAS1 (0.44) HSD17B10LMNAPRKCI
SCHEMBL11265988 0.80 CYP19A1 (0.42) PRKCICYP19A1
SCHEMBL11260271 0.80 ALDH1A1 (0.45) TSHRALDH1A1MAPK1ALOX15HSD17B10

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