SCHEMBL9504384

SCHEMBL9504384

Nc1c(F)c(F)cc(F)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
KIF11 P52732 1/20 0.31

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
SCHEMBL9144287 0.84 KIF11 (0.31) KIF11
SCHEMBL4634586 0.81 KIF11 (0.31) KIF11
SCHEMBL25991368 0.77 CA1 (0.32) CA12CA1CA2CA7CA13
SCHEMBL9507060 0.77 CA1 (0.32) CA12CA1CA2CA7CA13
SCHEMBL9342462 0.76 CA1 (0.35) CA12CA1CA2CA7CA13
SCHEMBL27264874 0.76 DAO (0.32)
SCHEMBL461597 0.76 CA1 (0.43) CA12CA1CA2CA7CA13
SCHEMBL9142584 0.74 ALDH1A1 (0.32) KIF11
SCHEMBL29031994 0.74 CA1 (0.33) CA12CA1CA2CA7CA13
SCHEMBL29031993 0.74 CA1 (0.33) CA12CA1CA2CA7CA13

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315863-B1 Trifluoromethylamino benzenes containing fluorine, and their preparation BAYER AG (DE) 1993-11-18 EP disclosed
EP-0318796-B1 SUBSTITUTED BENZOYL(THIO) UREAS BAYER AG (DE) 1993-06-16 EP disclosed
US-5096928-A Caterpillars BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
US-5082971-A TRIFLUOROMETHYLAMINOBENZENES CONTAINING FLUORINE AND/OR CHLORINE AND THEIR PREPARATION BAYER AKTIENGESELLSCHAFT (DE) 1992-01-21 US disclosed
EP-0318796-A2 Substituted benzoyl(thio) ureas BAYER AG (DE) 1989-06-07 EP disclosed