SCHEMBL31470158

SCHEMBL31470158

COc1c(Cl)cc(Cl)c2c(=O)n(C)c(CCl)nc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
NPBWR1 P48145 7/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.32
TYK2 P29597 1/20 0.32
GRM2 Q14416 2/20 0.32
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL613041 1.00 CDK1 (0.41) CDK1CCNB1CCNE1CDK2GAA
SCHEMBL611902 0.86 AADAT (0.33) GAAALDH1A1HPGDTYK2
SCHEMBL611801 0.85 GRM2 (0.36) ALDH1A1HSD17B10HTTKMT2AGRM2
SCHEMBL31470105 0.84 TLR7 (0.38) GAAALDH1A1KMT2AHPGDTYK2
SCHEMBL8883710 0.78 CDK1 (0.40) CDK1CCNB1CCNE1CDK2
SCHEMBL612542 0.74 GRM2 (0.34) ALDH1A1KMT2AGRM2MEN1SMN1; SMN2
SCHEMBL8280198 0.71 RAB9A (0.39) CDK1CCNB1CCNE1CDK2ALDH1A1
SCHEMBL8279152 0.69 TNF (0.44) GAAALDH1A1HSD17B10HPGDGRM2
SCHEMBL8279141 0.69 TNF (0.41) ALDH1A1GRM2KDM4ENPC1RAB9A
SCHEMBL8875482 0.68 CDK1 (0.43) CDK1CCNB1CCNE1CDK2ALDH1A1

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
WO-2025059726-A1 NOVEL THERAPY Alterity Therapeutics Limited (AU) 2025-03-27 WO disclosed