SCHEMBL31218436

SCHEMBL31218436

Cc1nc2c(C)cc(Br)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
HSD17B10 Q99714 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
NQO2 P16083 2/20 0.42
NSD1 Q96L73 1/20 0.41
MAPK1 P28482 1/20 0.39
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.31
HTT P42858 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
SCHEMBL25111970 1.00 GAA (0.44) GAAHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL21683098 0.86 HSD17B10 (0.44) GAAHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL19627251 0.84 RAB9A (0.42) GAAHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL11591003 0.81 HSD17B10 (0.68) GAAHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL18863820 0.81 HSD17B10 (0.41) GAAHSD17B10ALDH1A1NQO2NSD1
SCHEMBL12109842 0.81 ALDH1A1 (0.39) GAAHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL21091519 0.81 NSD1 (0.64) GAAHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL10272977 0.79 HSD17B10 (0.66) GAAHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL31210403 0.78 MAPT (0.50) GAAHSD17B10SMN1; SMN2MAPTNPC1
SCHEMBL20049335 0.77 GAA (0.41) GAAHSD17B10SMN1; SMN2MAPTNPC1

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
CN-111065626-B Compounds for the treatment of huntington's disease PTC医疗公司 2024-09-27 CN disclosed