SCHEMBL9332005

SCHEMBL9332005

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
TDP1 Q9NUW8 2/20 0.45
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45
RAB9A P51151 3/20 0.44
PKM P14618 2/20 0.44
MAPT P10636 6/20 0.43
NPSR1 Q6W5P4 3/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
TLR8 Q9NR97 1/20 0.41
HTT P42858 2/20 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
SCHEMBL7751981 0.94 KMT2A (0.47) KMT2AMEN1TDP1TTRPPOX
SCHEMBL9332065 0.84 MAPT (0.43) KMT2AMEN1TDP1TTRPPOX
SCHEMBL9332068 0.84 TLR8 (0.44) NPSR1NPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8693593 0.83 MEN1 (0.50) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10748703 0.82 TDP1 (0.57) KMT2AMEN1TDP1TTRPPOX
SCHEMBL9331767 0.82 TDP1 (0.47) KMT2AMEN1TDP1TTRPPOX
SCHEMBL9332431 0.81 KMT2A (0.45) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10673745 0.81 TDP1 (0.57) KMT2AMEN1TDP1TTRPPOX
SCHEMBL9134954 0.81 TDP1 (0.50) KMT2AMEN1TDP1TTRPPOX
SCHEMBL9768748 0.80 TDP1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0448206-B1 Substituted benzimidazole and indazole derivatives, processes for their preparation and their use as herbicides ZENECA LTD (GB) 1994-12-28 EP disclosed
US-5306692-A Herbicidal indazole and benzimidazole compounds ZENECA LIMITED (GB) 1994-04-26 US disclosed
EP-0448206-A2 Substituted benzimidazole and indazole derivatives, processes for their preparation and their use as herbicides ZENECA LIMITED (GB) 1991-09-25 EP disclosed
CN-1054063-A Heterogeneous ring compound ICI PLC (GB) 1991-08-28 CN disclosed