SCHEMBL5748504

SCHEMBL5748504

Nc1ccc2cc3ccccc3c(C=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.49
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HIF1A Q16665 2/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HBB P68871 1/20 0.48
HTR3A P46098 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MAPT P10636 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41

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
SCHEMBL5748403 0.89 ALDH1A1 (0.48) ERN1ALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL342278 0.84 ERN1 (0.57) ERN1ALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL29388184 0.84 ERN1 (0.57) ERN1ALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL11298425 0.81 RAB9A (0.46) ERN1ALDH1A1HSD17B10CYP3A4TDP1
SCHEMBL4893713 0.81 ERN1 (0.50) ERN1ALDH1A1HSD17B10CYP3A4TDP1
Hydrochloric Acid SCHEMBL11298823 0.79 RAB9A (0.44) ERN1ALDH1A1HSD17B10CYP3A4TDP1
Methyl Alcohol SCHEMBL27670101 0.79 ERN1 (0.57) ERN1ALDH1A1HSD17B10TDP1MAPT
SCHEMBL22871880 0.79 ERN1 (0.49) ERN1ALDH1A1HSD17B10TDP1MAPT
SCHEMBL8601328 0.79 ERN1 (0.49) ERN1ALDH1A1HSD17B10TDP1HIF1A
SCHEMBL10348702 0.78 ERN1 (0.55) ERN1ALDH1A1HSD17B10CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed