SCHEMBL28384381

SCHEMBL28384381

Cc1cc2nc(Br)sc2c(C)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CHRM4 P08173 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
NQO2 P16083 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL14776637 0.80 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL28386162 0.78 SMN1; SMN2 (0.56) MAPTKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL31218404 0.78 SMN1; SMN2 (0.56) MAPTKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL31211425 0.71 MAPT (0.43) MAPTKDM4ECHRM4HPGDHSD17B10
SCHEMBL31218445 0.71 HSD17B10 (0.36) MAPTKDM4ECHRM4SMN1; SMN2NQO2
SCHEMBL28386183 0.71 HSD17B10 (0.36) MAPTKDM4ECHRM4SMN1; SMN2NQO2
SCHEMBL13811094 0.69 NPC1 (0.46) MAPTKDM4ESMN1; SMN2NPC1ALDH1A1
SCHEMBL13734585 0.68 SMN1; SMN2 (0.42) MAPTKDM4ESMN1; SMN2NQO2NPC1
SCHEMBL18791317 0.64 ILK (0.34)
SCHEMBL10187249 0.64 RAB9A (0.32) MAPTKDM4ESMN1; SMN2NPC1ALDH1A1

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
CN-111065626-B Compounds for the treatment of huntington's disease PTC医疗公司 2024-09-27 CN disclosed
CN-111065626-A Compounds for the treatment of huntington's chorea PTC医疗公司 2020-04-24 CN disclosed