SCHEMBL11265010

SCHEMBL11265010

CC1CSC(Cc2ccc(C(F)(F)F)cc2)(Cn2ccnc2)S1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.43
HMOX1 P09601 3/20 0.41

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
SCHEMBL11267306 0.89 NOS1 (0.46) NOS1HMOX1
SCHEMBL11269499 0.89 HMOX1 (0.44) NOS1HMOX1
SCHEMBL11266344 0.89 NOS1 (0.41) NOS1HMOX1
SCHEMBL11267354 0.88 NOS1 (0.47) NOS1HMOX1
SCHEMBL11260173 0.88 HMOX1 (0.43) NOS1HMOX1
SCHEMBL11265945 0.86 HMOX1 (0.38) HMOX1
SCHEMBL11256840 0.86 CYP11B1 (0.48) HMOX1
SCHEMBL11253896 0.86 NOS1 (0.42) NOS1HMOX1
SCHEMBL11261786 0.85 CYP19A1 (0.47) HMOX1
SCHEMBL11266730 0.85 HMOX1 (0.49) 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