SCHEMBL9119756

SCHEMBL9119756

O=[N+]([O-])c1ccc(Nc2cc(Cl)ccc2O)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.55
ALDH1A1 P00352 3/20 0.55
TP53 P04637 2/20 0.55
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GPR35 Q9HC97 2/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 8/20 0.55
KMT2A Q03164 8/20 0.55
MAPT P10636 5/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
AURKA O14965 1/20 0.53
PDPK1 O15530 1/20 0.53
JAK2 O60674 1/20 0.53
GMNN O75496 1/20 0.53
EGFR P00533 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL9119882 0.85 L3MBTL1 (0.51) ALDH1A1MAPTL3MBTL1KCNMA1
Hydrochloric Acid SCHEMBL9118764 0.84 MAPT (0.58) MAPK1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL10628224 0.83 KMT2A (0.55) MAPK1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL10724889 0.82 MAPT (0.50) MAPK1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL2641997 0.82 VCAM1 (0.52) KMT2AMAPTRAB9ALMNAPKM
SCHEMBL31715811 0.82 MAPT (0.73) MAPK1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL11218130 0.81 MAPT (0.69) MAPK1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL11649667 0.80 MEN1 (0.60) MAPK1ALDH1A1TP53TSHRSMN1; SMN2
SCHEMBL9117897 0.79 VCAM1 (0.57) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9117318 0.79 LMNA (0.56) MAPK1ALDH1A1TSHRSMN1; SMN2HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477819-B1 Benzimidazole derivatives, their preparation and use NEUROSEARCH AS (DK) 1995-03-15 EP disclosed
US-5200422-A Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-04-06 US disclosed
EP-0477819-A2 Benzimidazole derivatives, their preparation and use NEUROSEARCH A/S (DK) 1992-04-01 EP disclosed
US-4348335-A Process for the partial reduction of polynitrated diaryl compounds BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
EP-0019712-A1 Process for partial reduction of polynitrodiaryl compounds BAYER AG (DE) 1980-12-10 EP disclosed