SCHEMBL11220359

SCHEMBL11220359

CCCC(=O)c1cc([N+](=O)[O-])c(Cl)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 7/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 7/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PGK1 P00558 1/20 0.40
CYP3A4 P08684 2/20 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
SCHEMBL11271485 0.88 VCAM1 (0.44) VCAM1POLBALDH1A1GAAHPGD
SCHEMBL11231775 0.82 LMNA (0.42) ALDH1A1HPGDPDGFRBFGFR1PDGFRA
SCHEMBL19239521 0.81 PDGFRB (0.45) VCAM1POLBALDH1A1HPGDPDGFRB
SCHEMBL11208114 0.80 HCAR3 (0.47) POLBALDH1A1HPGDPDGFRBFGFR1
SCHEMBL5115680 0.80 TSHR (0.51) VCAM1ALDH1A1GAAHPGDMAPT
SCHEMBL10487718 0.79 POLB (0.57) POLBALDH1A1GAAHPGDPDGFRB
SCHEMBL11279686 0.79 HCAR3 (0.52) POLBALDH1A1HPGDPDGFRBFGFR1
SCHEMBL10487709 0.79 POLB (0.48) POLBALDH1A1HPGDPDGFRBFGFR1
SCHEMBL11219158 0.78 VCAM1 (0.64) VCAM1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL17804346 0.77 DHODH (0.44) ALDH1A1HPGDRECQLL3MBTL1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed
EP-0000574-B1 BENZIMIDAZOLE-2 DERIVATIVES, THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS CIBA-GEIGY AG (CH) 1982-08-04 EP disclosed
US-4323688-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1982-04-06 US disclosed
US-4322431-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1982-03-30 US disclosed
EP-0014469-A2 Benzimidazole-2-yl derivatives as medicines, their application and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-08-20 EP disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
EP-0000574-A1 Benzimidazole-2 derivatives, their preparation and their use for the preparation of medicaments CIBA-GEIGY AG (CH) 1979-02-07 EP disclosed