SCHEMBL7750641

SCHEMBL7750641

Nc1cc(S(=O)(=O)C(F)(F)F)cc(Br)c1N

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
CA2 P00918 7/20 0.50
CA1 P00915 6/20 0.50
CA9 Q16790 6/20 0.50
CA3 P07451 1/20 0.48
EPAS1 Q99814 11/20 0.43
CA12 O43570 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
CA5A P35218 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA5B Q9Y2D0 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL999002 0.90 CA2 (0.59) ALDH1A1CA2CA1CA9CA3
SCHEMBL697889 0.79 CA2 (0.55) ALDH1A1CA2CA1CA9CA3
SCHEMBL7745986 0.78 ALDH1A1 (0.51) ALDH1A1CA2CA1CA9CA3
SCHEMBL7750645 0.78 ALDH1A1 (0.55) ALDH1A1CA2CA1CA9CA3
SCHEMBL20526549 0.78 ALDH1A1 (0.70) ALDH1A1CA2CA1CA9EPAS1
SCHEMBL697711 0.76 CA2 (0.55) ALDH1A1CA2CA1CA9CA3
SCHEMBL699249 0.73 CA2 (0.52) ALDH1A1CA2CA1CA9CA3
SCHEMBL1334378 0.72 ALDH1A1 (0.54) ALDH1A1CA2CA1EPAS1CA7
SCHEMBL15068050 0.72 EPAS1 (0.60) ALDH1A1CA2EPAS1LMNA
SCHEMBL699101 0.71 CA1 (0.50) CA2CA1CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597304-B1 Use of substituted benzimidazoles for combating parasitic protozoas BAYER AG (DE) 2001-01-10 EP disclosed
US-5877195-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-02 US disclosed
US-5863933-A NEMATOCIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-26 US disclosed
EP-0596358-B1 0-Phenylenediamines containing fluoroakyl(ene) groups and their use as intermediates in the preparation of benzimidazoles BAYER AG (DE) 1998-10-28 EP disclosed
EP-0667863-B1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1998-06-03 EP disclosed
US-5656649-A PESTICIDE, INSECTICIDES, NEMATOCIDE BAYER AKTIENGESELLSCHAFT (DE) 1997-08-12 US disclosed
US-5484953-A CHEMICAL INTERMEDIATES FOR BENZIMIDAZOLES FOR INSECTICIDES OR NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
US-5482956-A ANTIPROTOZOA AGENTS FOR ANIMALS OR INSECTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-09 US disclosed
WO-1994011352-A1 2-CYANO-SUBSTITUTED BENZIMIDAZOLES, THEIR PRODUCTION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1994011350-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1994011351-A1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1994011349-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
EP-0597304-A1 Use of substituted benzimidazoles BAYER AG (DE) 1994-05-18 EP disclosed
EP-0596358-A1 0-Phenylenediamines containing fluoroakyl(ene) groups and their use as intermediates in the preparation of benzimidazoles BAYER AG (DE) 1994-05-11 EP disclosed