SCHEMBL11270889

SCHEMBL11270889

CC1CSC(CCc2ccc(C(F)(F)F)cc2)(CCn2ccnc2)S1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 2/20 0.48
NOS1 P29475 4/20 0.46
CYP19A1 P11511 1/20 0.39

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 0.91 HMOX1 (0.44) HMOX1NOS1
SCHEMBL11267306 0.91 NOS1 (0.46) HMOX1NOS1CYP19A1
SCHEMBL11261907 0.91 HMOX1 (0.49) HMOX1NOS1CYP19A1
SCHEMBL11252160 0.90 HMOX1 (0.47) HMOX1NOS1CYP19A1
SCHEMBL11264057 0.89 HMOX1 (0.46) HMOX1NOS1CYP19A1
SCHEMBL11255079 0.87 HMOX1 (0.41) HMOX1CYP19A1
SCHEMBL11251457 0.87 CYP19A1 (0.45) HMOX1CYP19A1
SCHEMBL11261528 0.87 HMOX1 (0.47) HMOX1NOS1CYP19A1
SCHEMBL11264753 0.86 HMOX1 (0.51) HMOX1CYP19A1
SCHEMBL11269517 0.86 HMOX1 (0.52) HMOX1CYP19A1

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