SCHEMBL7750665

SCHEMBL7750665

Nc1cc(F)c(C(F)(F)F)cc1NC(=O)CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.36
HDAC3 O15379 3/20 0.36
ALDH1A1 P00352 2/20 0.36
BACE1 P56817 2/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
HDAC2 Q92769 1/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GAA P10253 1/20 0.34
NR3C2 P08235 1/20 0.34
RET P07949 1/20 0.34
F2R P25116 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAP4K4 O95819 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL8134148 0.84 F2R (0.40) POLBHTTCA1CA2GAA
SCHEMBL8528101 0.80 PTPN5 (0.38) HDAC1HDAC2CA1CA2NR3C2
SCHEMBL7746027 0.78 AR (0.41) ALDH1A1HTTCYP1A2CYP3A4CYP2C19
SCHEMBL22637106 0.75 HDAC1 (0.39) HDAC1ALDH1A1HDAC2CA1CA2
SCHEMBL7751970 0.73 AR (0.55) BACE1HTTKCNQ3KCNQ2F2R
SCHEMBL7753008 0.70 LMNA (0.34) HDAC1ALDH1A1POLBHTTHDAC2
SCHEMBL5563358 0.69 LMNA (0.44) POLBAR
SCHEMBL29430784 0.69 LMNA (0.44) POLBAR
SCHEMBL29746135 0.67 KIF11 (0.47) ALDH1A1POLBCA1CA2GAA
SCHEMBL437730 0.67 KIF11 (0.47) ALDH1A1POLBCA1CA2GAA

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 15 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-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-5585395-A INSECTICIDES, MITICIDES, FUNGICIDES, HERBICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5482956-A ANTIPROTOZOA AGENTS FOR ANIMALS OR INSECTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-09 US disclosed
EP-0667862-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 EP disclosed
EP-0667863-A1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 EP disclosed
EP-0667861-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 EP disclosed
WO-1994011349-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-1994011350-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1994011352-A1 2-CYANO-SUBSTITUTED BENZIMIDAZOLES, THEIR PRODUCTION 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