SCHEMBL11271074

SCHEMBL11271074

CCCC(=O)c1cc(N)c(N)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
RECQL P46063 1/20 0.48
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B3 P37058 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
STS P08842 1/20 0.37
HTT P42858 1/20 0.36

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
Hydrochloric Acid SCHEMBL11264387 0.98 HPGD (0.47) HPGDTSHRTDP1HSD17B10ALDH1A1
SCHEMBL11276126 0.89 HSD17B3 (0.44) HPGDTSHRTDP1HSD17B10ALDH1A1
SCHEMBL10803691 0.86 TDP1 (0.43) HPGDTSHRTDP1HSD17B10ALDH1A1
SCHEMBL3646867 0.83 ALDH1A1 (0.44) HPGDTSHRTDP1HSD17B10ALDH1A1
SCHEMBL11209782 0.83 ALDH1A1 (0.44) HPGDTSHRTDP1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL11276211 0.82 ALDH1A1 (0.43) HPGDTSHRTDP1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL11212030 0.82 ALDH1A1 (0.43) HPGDTSHRTDP1HSD17B10ALDH1A1
SCHEMBL23544604 0.82 HPGD (0.53) HPGDTSHRTDP1HSD17B10ALDH1A1
SCHEMBL11231775 0.81 LMNA (0.42) HPGDTSHRTDP1HSD17B10ALDH1A1
SCHEMBL11068908 0.81 TDP1 (0.39) HPGDTSHRTDP1HSD17B10ALDH1A1

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