SCHEMBL11261528

SCHEMBL11261528

CCC1CSC(CCc2ccc(C(F)(F)F)cc2)(CCn2ccnc2)SC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.47
NOS1 P29475 4/20 0.45
CYP19A1 P11511 1/20 0.38
ATP4A P20648 1/20 0.36
ATP4B P51164 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
SCHEMBL11265140 0.91 NOS1 (0.46) HMOX1NOS1CYP19A1ATP4AATP4B
SCHEMBL11261907 0.90 HMOX1 (0.49) HMOX1NOS1CYP19A1
SCHEMBL11258567 0.89 CYP19A1 (0.39) HMOX1CYP19A1
SCHEMBL11264057 0.88 HMOX1 (0.46) HMOX1NOS1CYP19A1ATP4AATP4B
SCHEMBL11270889 0.87 HMOX1 (0.48) HMOX1NOS1CYP19A1
SCHEMBL11254992 0.86 HMOX1 (0.42) HMOX1CYP19A1
SCHEMBL11266684 0.84 HMOX1 (0.52) HMOX1NOS1CYP19A1ATP4AATP4B
SCHEMBL11270501 0.83 HMOX1 (0.45) HMOX1NOS1CYP19A1ATP4AATP4B
SCHEMBL11253896 0.82 NOS1 (0.42) HMOX1NOS1CYP19A1ATP4AATP4B
SCHEMBL11253700 0.82 KMT2A (0.43) HMOX1NOS1CYP19A1

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