SCHEMBL11267686

SCHEMBL11267686

FC(F)(F)c1ccc(CC2(Cn3ccnc3)SCCS2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.46
NOS1 P29475 4/20 0.45
CYP19A1 P11511 2/20 0.38
TBXAS1 P24557 1/20 0.38
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL11269948 0.95 HMOX1 (0.44) HMOX1NOS1CYP19A1TBXAS1ATP4A
SCHEMBL11257342 0.88 HMOX1 (0.49) HMOX1NOS1
SCHEMBL11259981 0.88 HMOX1 (0.49) HMOX1NOS1CYP19A1TBXAS1ATP4A
SCHEMBL11254044 0.86 NOS1 (0.52) HMOX1NOS1CYP19A1ATP4AATP4B
SCHEMBL11253896 0.85 NOS1 (0.42) HMOX1NOS1CYP19A1TBXAS1ATP4A
SCHEMBL11250126 0.84 HMOX1 (0.38) HMOX1NOS1CYP19A1ATP4AATP4B
SCHEMBL11265010 0.84 NOS1 (0.43) HMOX1NOS1
SCHEMBL11265147 0.83 HMOX1 (0.47) HMOX1NOS1CYP19A1TBXAS1ATP4A
SCHEMBL11259920 0.83 HMOX1 (0.47) HMOX1NOS1
SCHEMBL11270651 0.83 CYP11B1 (0.54) HMOX1CYP19A1CYP11B1CYP11B2

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