SCHEMBL2641997

SCHEMBL2641997

N#Cc1ccc(Nc2cc(Cl)ccc2O)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.52
KCNMA1 Q12791 4/20 0.49
MERTK Q12866 1/20 0.49
MAPT P10636 4/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KAT2B Q92831 1/20 0.47
RAB9A P51151 1/20 0.43
LRRK2 Q5S007 2/20 0.43
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
TMPRSS4 Q9NRS4 1/20 0.41
CXCR2 P25025 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL9119756 0.82 MAPK1 (0.55) KCNMA1MAPTKMT2AL3MBTL1RAB9A
SCHEMBL9119882 0.81 L3MBTL1 (0.51) KCNMA1MAPTL3MBTL1APP
Hydrochloric Acid SCHEMBL2641991 0.76 ALDH1A1 (0.51) KCNMA1TMPRSS4CXCR2
SCHEMBL103929 0.76 VCAM1 (0.64) VCAM1MAPTKMT2AL3MBTL1KAT2B
SCHEMBL31326843 0.76 VCAM1 (0.64) VCAM1MAPTKMT2AL3MBTL1KAT2B
SCHEMBL9117897 0.75 VCAM1 (0.57) VCAM1KCNMA1MAPTKMT2AL3MBTL1
SCHEMBL9117318 0.75 LMNA (0.56) VCAM1KCNMA1MAPTKMT2AL3MBTL1
SCHEMBL11518576 0.74 MAPT (0.66) VCAM1MERTKMAPTKMT2AL3MBTL1
SCHEMBL2904358 0.74 MERTK (0.71) VCAM1MERTKMAPTKMT2AL3MBTL1
SCHEMBL6555479 0.73 VCAM1 (0.54) VCAM1MERTKMAPTKMT2AKAT2B

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-0563001-B1 Imidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1996-02-28 EP disclosed
US-5360809-A Imidazole compounds and their use as calcium channel blockers NEUROSEARCH A/S (DK) 1994-11-01 US disclosed
EP-0563001-A1 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1993-09-29 EP disclosed