SCHEMBL9526305

SCHEMBL9526305

NCCSc1cc(O)c(Cl)cc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 3/20 0.35
CA2 P00918 3/20 0.35
CA1 P00915 2/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.34
CYP3A4 P08684 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A4 P31645 1/20 0.33
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KIF11 P52732 2/20 0.31
CCR2 P41597 1/20 0.31

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 SCHEMBL8944289 0.96 HSD17B10 (0.34) HSD17B10HPGDTSHRALDH1A1CA2
SCHEMBL8944437 0.75 HSD17B10 (0.41) HSD17B10HPGDTSHRALDH1A1CA2
SCHEMBL9525225 0.74 CA2 (0.45) HSD17B10HPGDALDH1A1CA2CA1
Hydrochloric Acid SCHEMBL8944452 0.73 CA2 (0.44) HSD17B10HPGDALDH1A1CA2CA1
Hydrochloric Acid SCHEMBL8944285 0.72 CA2 (0.43) HSD17B10HPGDALDH1A1CA2CA1
SCHEMBL9523999 0.70 ALDH1A1 (0.47) HSD17B10HPGDALDH1A1CA2CA1
SCHEMBL17000444 0.70 HSD17B10 (0.55) HSD17B10HPGDTSHRALDH1A1CA2
SCHEMBL11206840 0.69 ALDH1A1 (0.47) HSD17B10HPGDTSHRALDH1A1ALOX15
SCHEMBL13331360 0.68 HSD17B10 (0.52) HSD17B10HPGDTSHRALDH1A1CA2
SCHEMBL2779101 0.68 GAA (0.67) HSD17B10HPGDTSHRALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0331144-B1 3-SUBSTITUTED PARA-AMINO PHENOLS, PROCESS FOR THEIR PREPARATION, THEIR USE IN DYEING KERATENIC FIBRES AND INTERMEDIATES USED IN THE PREPARATION PROCESS L'OREAL (FR) 1993-06-09 EP claimed