SCHEMBL7751981

SCHEMBL7751981

CC(=O)Nc1ccc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.47
MEN1 O00255 8/20 0.47
TDP1 Q9NUW8 2/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
PKM P14618 3/20 0.47
MAPT P10636 6/20 0.46
NPSR1 Q6W5P4 4/20 0.46
POLB P06746 3/20 0.46
LMNA P02545 3/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 4/20 0.45
TP53 P04637 1/20 0.45
KCNMA1 Q12791 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL9332005 0.94 KMT2A (0.45) KMT2AMEN1TDP1TTRPPOX
SCHEMBL7753059 0.82 TLR8 (0.43) KMT2AMEN1NPSR1NPC1CYP1A2
SCHEMBL10854104 0.81 MEN1 (0.54) KMT2AMEN1TDP1TTRPPOX
SCHEMBL6525254 0.81 MAPT (0.62) KMT2AMEN1PKMMAPTNPSR1
SCHEMBL10538015 0.79 TDP1 (0.55) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11660364 0.79 MAPT (0.54) KMT2AMEN1TDP1PKMMAPT
SCHEMBL10828357 0.79 MEN1 (0.67) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11648092 0.79 MEN1 (0.54) KMT2AMEN1TDP1TTRPPOX
SCHEMBL16739563 0.78 KCNMA1 (0.63) KMT2AMEN1PKMMAPTNPSR1
SCHEMBL9438322 0.78 MEN1 (0.54) KMT2AMEN1TDP1TTRPPOX

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 16 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
EP-0667861-B1 2-TRIFLUOROMETHYL BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 2000-07-19 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
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-1994011350-A1 2-FLUOROALKYL-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
WO-1994011351-A1 2-PERHALOGENALKYL-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