SCHEMBL9332004

SCHEMBL9332004

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
TDP1 Q9NUW8 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TTR P02766 1/20 0.45
PPOX P50336 1/20 0.45
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
TSHR P16473 2/20 0.43
HIF1A Q16665 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
MAPT P10636 5/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 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
SCHEMBL8693586 0.91 MEN1 (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8693593 0.89 MEN1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9134954 0.87 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9331767 0.86 TDP1 (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11039095 0.84 HSPB1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9199456 0.84 MEN1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11014034 0.83 TDP1 (0.51) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9331754 0.82 NR4A1 (0.44) CYP3A4MAPTCYP1A2CYP2C19LMNA
SCHEMBL10806230 0.82 KMT2A (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10830663 0.82 MEN1 (0.46) TDP1MEN1KMT2ATTRPPOX

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 3 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