SCHEMBL9682947

SCHEMBL9682947

COc1ccc(N(C)c2ccc(Cl)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 9/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 7/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALPG P10696 1/20 0.42
RAF1 P04049 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PKM P14618 2/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 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
SCHEMBL11755275 0.86 POLB (0.54) POLBMCOLN3MAPTALDH1A1MAPK1
SCHEMBL9683236 0.86 ALDH1A1 (0.50) POLBCYP3A4CYP2C19MAPTLMNA
SCHEMBL9683006 0.81 PSEN1 (0.43) MAPTLMNAALDH1A1MAPK1TDP1
SCHEMBL3991397 0.79 POLB (0.62) POLBMCOLN3MAPTLMNAALDH1A1
SCHEMBL3518353 0.77 MEN1 (0.53) MAPTLMNAALDH1A1MAPK1NPC1
SCHEMBL9588620 0.75 POLB (0.57) POLBMCOLN3MAPTLMNAALDH1A1
SCHEMBL18138719 0.75 KMT2A (0.51) POLBMCOLN3MAPTLMNAALDH1A1
SCHEMBL30641694 0.73 MAPT (0.50) CYP3A4MAPTLMNAALDH1A1MAPK1
SCHEMBL26906938 0.73 POLB (0.70) POLBMCOLN3CYP3A4CYP2C19MAPT
SCHEMBL9396448 0.73 POLB (0.55) POLBMCOLN3MAPTLMNAALDH1A1

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
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed
US-5021443-A Noval benzimidazole and azabenzimiazole derivatives which are thromboxane receptor antagonists, their methods of preparation and pharmaceutical compositions in which they are present LABORATOIRES UPSA (FR) 1991-06-04 US disclosed