SCHEMBL11260173

SCHEMBL11260173

CC1CSC(CCCc2ccc(C(F)(F)F)cc2)(Cn2ccnc2)S1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 3/20 0.43
NOS1 P29475 3/20 0.40

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
SCHEMBL11269499 0.94 HMOX1 (0.44) HMOX1NOS1
SCHEMBL11264779 0.91 HMOX1 (0.43) HMOX1NOS1
SCHEMBL11257946 0.90 HMOX1 (0.41) HMOX1NOS1
SCHEMBL11266415 0.89 HMOX1 (0.41) HMOX1NOS1
SCHEMBL11265010 0.88 NOS1 (0.43) HMOX1NOS1
SCHEMBL11264806 0.88 HMOX1 (0.42) HMOX1
SCHEMBL11261392 0.88 HMOX1 (0.42) HMOX1
SCHEMBL11261323 0.88 CYP19A1 (0.44) HMOX1
SCHEMBL11270291 0.87 HMOX1 (0.51) HMOX1
SCHEMBL11270183 0.87 HMOX1 (0.53) HMOX1

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