SCHEMBL30174207

SCHEMBL30174207

Cc1ccc(-c2cnc(C)c(C(N)=O)c2O)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MPI P34949 1/20 0.40
PTPN11 Q06124 1/20 0.34
NNMT P40261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 2/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
HPGDS O60760 1/20 0.33
RAB9A P51151 1/20 0.33
ERN1 O75460 1/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
DAO P14920 1/20 0.33
CFTR P13569 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL30174200 0.79 KDM4E (0.51) ALDH1A1KDM4EERN1HSD17B10MAPT
SCHEMBL30174261 0.78 HPGDS (0.36) KMT2AALDH1A1KDM4EHPGDSHSD17B10
SCHEMBL30174259 0.75 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1MPISMN1; SMN2
SCHEMBL30174299 0.75 KDM4E (0.36) KMT2AALDH1A1NNMTSMN1; SMN2KDM4E
SCHEMBL30174277 0.74 CHEK2 (0.46) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL30174327 0.74 CYP2A6 (0.44) NPC1HPGDSRAB9AALOX5CCNE2
SCHEMBL29812074 0.73 SQOR (0.43) TBK1MAPK1MKNK1MKNK2LIMK1
SCHEMBL30174231 0.72 CYP3A4 (0.50) MKNK1MKNK2
SCHEMBL30174280 0.72 IKBKB (0.43) KMT2AMEN1ALDH1A1KDM4EHSD17B10
SCHEMBL24800447 0.68 BCAT2 (0.50) KMT2AMEN1ALDH1A1MPIKDM4E

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-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed