SCHEMBL9119093

SCHEMBL9119093

COc1ccc(-c2ccccc2)cc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 7/20 0.57
ABCG2 Q9UNQ0 2/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ABCC1 P33527 4/20 0.55
MAPK1 P28482 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 1/20 0.51
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CASP7 P55210 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AKR1B10 O60218 1/20 0.50
AKR1B1 P15121 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C1 Q04828 1/20 0.50

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
SCHEMBL9558536 0.90 MAPT (0.59) ABCB1ABCG2MAPTALDH1A1SMN1; SMN2
SCHEMBL9121209 0.84 MAPK1 (0.52) ABCB1MAPTALDH1A1SMN1; SMN2ABCC1
SCHEMBL4940856 0.83 L3MBTL1 (0.68) ABCG2MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL30819288 0.83 L3MBTL1 (0.68) ABCG2MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL9117636 0.83 MAPT (0.62) ABCG2MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL7562427 0.80 ALDH1A1 (0.61) ABCB1MAPTALDH1A1SMN1; SMN2ABCC1
SCHEMBL9119123 0.79 ABCB1 (0.47) ABCB1MAPTALDH1A1SMN1; SMN2ABCC1
SCHEMBL4216643 0.77 AKR1C3 (0.58) ABCB1MAPTALDH1A1ABCC1MAPK1
SCHEMBL359057 0.77 ALDH1A1 (0.61) ABCB1ALDH1A1ABCC1L3MBTL1TDP1
SCHEMBL30423771 0.77 ALDH1A1 (0.61) ABCB1ALDH1A1ABCC1L3MBTL1TDP1

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 1 patent. 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