SCHEMBL7811089

SCHEMBL7811089

Nc1ccc(Cc2ccncc2)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
MAPT P10636 7/20 0.56
CYP17A1 P05093 2/20 0.51
CYP19A1 P11511 2/20 0.51
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
TDP1 Q9NUW8 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.48
RECQL P46063 1/20 0.48
TSHR P16473 1/20 0.47
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL30989211 0.88 TDP1 (0.62) POLBMAPTTDP1KMT2AMEN1
SCHEMBL2929031 0.88 TDP1 (0.62) POLBMAPTTDP1KMT2AMEN1
SCHEMBL1601620 0.84 ALDH1A1 (0.53) POLBMAPTTDP1KMT2AMEN1
SCHEMBL25826364 0.82 TSHR (0.50) POLBMAPTTDP1KMT2AMEN1
SCHEMBL10920095 0.82 ALDH1A1 (0.48) POLBMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL177812 0.78 POLB (1.00) POLBMAPTCYP19A1TDP1KMT2A
SCHEMBL12798874 0.78 TDP1 (0.62) POLBMAPTTDP1KMT2AMEN1
SCHEMBL214372 0.77 MAPT (0.62) POLBMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL11714437 0.77 L3MBTL1 (0.51) POLBMAPTTDP1KMT2AMEN1
SCHEMBL31423774 0.76 TDP1 (0.60) POLBMAPTTDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820990-B1 Benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR (FR) 2001-01-17 EP disclosed
US-5972968-A INTERLEUKIN INHIBITOR ADIR ET COMPAGNIE (FR) 1999-10-26 US disclosed
EP-0820990-A2 Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR ET COMPAGNIE (FR) 1998-01-28 EP disclosed
EP-0056260-A1 Pyridinyl-substituted-benz imidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-21 EP disclosed
EP-0055453-A2 5-(Pyridinyl)-benzimidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-07 EP disclosed
US-4335132-A 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols STERLING DRUG, INC. (US) 1982-06-15 US disclosed
US-4331671-A 5-(Pyridinyl)-1H-benzimidazoles and 1-hydroxy-6-(pyridinyl)-1H-benzimidazoles and their cardiotonic use STERLING DRUG INC. (US) 1982-05-25 US disclosed