SCHEMBL7746026

SCHEMBL7746026

CC(=O)Nc1c([N+](=O)[O-])cc(F)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AR P10275 4/20 0.40
ALDH3A1 P30838 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 2/20 0.40
CYP3A4 P08684 2/20 0.39
CES2 O00748 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL8137732 0.86 MAPT (0.43) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL10285834 0.80 HRAS (0.48) ALDH1A1GAAMAPTKDM4EL3MBTL1
SCHEMBL6675027 0.79 MAPT (0.47) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL8533944 0.79 ALDH1A1 (0.45) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL1285715 0.77 AR (0.44) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL10472926 0.77 MAPT (0.45) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL30002654 0.77 MAPT (0.45) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL3449671 0.76 MAPT (0.47) ALDH1A1GAAMAPTLMNAKDM4E
SCHEMBL7750661 0.76 CA1 (0.38) ALDH1A1L3MBTL1MEN1KMT2AMAPK1
SCHEMBL7750611 0.76 MAPT (0.38) ALDH1A1GAAMAPTLMNAKDM4E

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 13 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-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-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
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