SCHEMBL11255931

SCHEMBL11255931

CC1CSC(CCCn2ccnc2)(Cc2ccccc2Cl)S1

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 0.38
PRKCI P41743 1/20 0.38
CYP19A1 P11511 2/20 0.37
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
SCHEMBL11269138 0.87 TSHR (0.42) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL11263977 0.85 CYP19A1 (0.41) ALDH1A1PRKCICYP19A1
SCHEMBL11252643 0.85 TSHR (0.47) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL11259593 0.84 HMOX1 (0.38) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL11264763 0.84 TSHR (0.39) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL11253398 0.83 ALDH1A1 (0.41) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL11266636 0.82 MAPK1 (0.40) ALDH1A1MAPK1ALOX15HSD17B10LMNA
SCHEMBL11261952 0.82 FNTA (0.40) ALDH1A1LMNACYP19A1
SCHEMBL11254722 0.81 HMOX1 (0.39) ALDH1A1MAPK1ALOX15HSD17B10CYP19A1
SCHEMBL11271243 0.80 QPCT (0.44) TSHRALDH1A1MAPK1PRKCICYP19A1

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