SCHEMBL11005015

SCHEMBL11005015

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.85
CA1 P00915 3/20 0.69
CA2 P00918 3/20 0.69
CA7 P43166 3/20 0.69
CA9 Q16790 3/20 0.69
EPHX2 P34913 1/20 0.67
TRPV1 Q8NER1 6/20 0.65
HDAC1 Q13547 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
PDK1 Q15118 1/20 0.62
BAZ1A Q9NRL2 1/20 0.58
MTOR P42345 1/20 0.58
CDK8 P49336 1/20 0.58
BLM P54132 1/20 0.58

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
SCHEMBL118026 0.92 KDR (1.00) KDRCA1CA2CA7CA9
SCHEMBL29364392 0.92 KDR (1.00) KDRCA1CA2CA7CA9
SCHEMBL12387674 0.90 KDR (0.78) KDRCA1CA2CA7CA9
SCHEMBL11002386 0.90 KDR (0.82) KDRCA1CA2CA7CA9
Cloflucarban SCHEMBL119821 0.89 KDR (0.88) KDRCA1CA2CA7CA9
Cloflucarban SCHEMBL27537485 0.89 KDR (0.88) KDRCA1CA2CA7CA9
SCHEMBL16884950 0.88 KDR (0.85) KDRCA1CA2CA7CA9
SCHEMBL18615348 0.88 KDR (0.85) KDRCA1CA2CA7CA9
SCHEMBL281864 0.88 KDR (0.85) KDRCA1CA2CA7CA9
SCHEMBL4548158 0.88 KDR (0.90) KDRCA1CA2CA7CA9

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-0015110-A2 Anticoccidial composition, carbanilides and method of preparing them ELI LILLY AND COMPANY (US) 1980-09-03 EP claimed
EP-0015110-B1 ANTICOCCIDIAL COMPOSITION, CARBANILIDES AND METHOD OF PREPARING THEM ELI LILLY AND COMPANY (US) 1985-08-21 EP disclosed
US-4526997-A Amino, nitro, fluoro substituted carbanilides DOHERTY GEORGE O P O 1985-07-02 US disclosed
US-4468380-A Anticoccidial combinations comprising polyether antibiotics and carbanilides ELI LILLY AND COMPANY (US) 1984-08-28 US disclosed
EP-0015110-A2 Anticoccidial composition, carbanilides and method of preparing them ELI LILLY AND COMPANY (US) 1980-09-03 EP disclosed