SCHEMBL11271485

SCHEMBL11271485

CCCC(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 9/20 0.44
ALDH1A1 P00352 5/20 0.43
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.41
PGK1 P00558 1/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11220359 0.88 VCAM1 (0.43) VCAM1ALDH1A1POLBCYP3A4PGK1
SCHEMBL11267369 0.84 HCAR3 (0.43) VCAM1ALDH1A1POLBCYP3A4HPGD
SCHEMBL11758068 0.78 CA12 (0.56) VCAM1ALDH1A1CYP3A4HPGDTSHR
SCHEMBL17804319 0.77 L3MBTL1 (0.41) VCAM1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL2080107 0.77 ALDH1A1 (0.52) ALDH1A1POLBCYP3A4HPGDTSHR
SCHEMBL11219158 0.77 VCAM1 (0.64) VCAM1ALDH1A1HPGD
SCHEMBL12427042 0.77 MEN1 (0.49) VCAM1ALDH1A1CYP3A4PGK1HPGD
SCHEMBL613001 0.76 ALDH1A1 (0.53) VCAM1ALDH1A1CYP3A4TSHRCA12
SCHEMBL10562304 0.76 VCAM1 (0.49) VCAM1ALDH1A1CYP3A4TSHRCA12
SCHEMBL241366 0.76 VCAM1 (0.42) VCAM1ALDH1A1CYP3A4PGK1TSHR

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-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US 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