SCHEMBL9117897

SCHEMBL9117897

O=C(c1ccccc1)c1ccc(Nc2cc(Cl)ccc2O)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
HCAR3 P49019 2/20 0.52
KCNMA1 Q12791 3/20 0.50
APP P05067 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CDC25B P30305 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.46
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45

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
SCHEMBL9120818 0.81 KCNMA1 (0.53) KCNMA1MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL4281287 0.80 HCAR3 (0.79) VCAM1L3MBTL1HCAR3MAPTALDH1A1
SCHEMBL9119756 0.79 MAPK1 (0.55) L3MBTL1KCNMA1MAPTALDH1A1SMN1; SMN2
SCHEMBL27498162 0.78 VCAM1 (0.63) VCAM1L3MBTL1HCAR3MAPTALDH1A1
SCHEMBL8171550 0.78 CDC25B (0.65) VCAM1HCAR3MAPTALDH1A1SMN1; SMN2
SCHEMBL867944 0.78 VCAM1 (0.69) VCAM1L3MBTL1HCAR3ALDH1A1SMN1; SMN2
SCHEMBL9119882 0.78 L3MBTL1 (0.51) L3MBTL1KCNMA1APPMAPTALDH1A1
Methane SCHEMBL28199058 0.77 VCAM1 (0.68) VCAM1L3MBTL1HCAR3ALDH1A1SMN1; SMN2
Methane SCHEMBL27604929 0.77 VCAM1 (0.68) VCAM1L3MBTL1HCAR3ALDH1A1SMN1; SMN2
Arsenic SCHEMBL28025098 0.77 VCAM1 (0.68) VCAM1L3MBTL1HCAR3ALDH1A1SMN1; SMN2

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-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