SCHEMBL11266684

SCHEMBL11266684

FC(F)(F)c1ccc(CCC2(CCn3ccnc3)SCCCS2)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.52
NOS1 P29475 4/20 0.46
CYP19A1 P11511 1/20 0.41
ATP4A P20648 1/20 0.39
ATP4B P51164 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
SCHEMBL11265147 0.90 HMOX1 (0.47) HMOX1NOS1CYP19A1ATP4AATP4B
SCHEMBL11259920 0.90 HMOX1 (0.47) HMOX1NOS1
SCHEMBL11261907 0.86 HMOX1 (0.49) HMOX1NOS1CYP19A1
SCHEMBL11252160 0.86 HMOX1 (0.47) HMOX1NOS1CYP19A1
SCHEMBL11257342 0.85 HMOX1 (0.49) HMOX1NOS1
SCHEMBL11259981 0.85 HMOX1 (0.49) HMOX1NOS1CYP19A1ATP4AATP4B
SCHEMBL11266681 0.85 CYP19A1 (0.48) HMOX1CYP19A1
SCHEMBL11261740 0.85 QPCT (0.43) HMOX1CYP19A1
SCHEMBL11261812 0.85 HMOX1 (0.55) HMOX1NOS1CYP19A1
SCHEMBL11256551 0.85 CYP2A6 (0.49) 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