SCHEMBL28530617

SCHEMBL28530617

CCc1c(-c2cccs2)cc(C(N)=O)c(C)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.45
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KEAP1 Q14145 1/20 0.43
BTK Q06187 1/20 0.42
AR P10275 1/20 0.42
KMT2A Q03164 4/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NEK2 P51955 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38

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
SCHEMBL28525528 0.77 BTK (0.44) IKBKBMAPTALDH1A1HSD17B10BTK
SCHEMBL27983418 0.76 CCNC (0.51) IKBKBALDH1A1HPGDHSD17B10BTK
SCHEMBL27983939 0.76 CHEK2 (0.39) MAPTALDH1A1HPGDKMT2ANPC1
SCHEMBL28530697 0.74 IKBKB (0.45) IKBKBMAPTALDH1A1GAAKDM4E
SCHEMBL28542740 0.73 MKNK1 (0.52) BTKKMT2ALMNACHEK2
SCHEMBL2417969 0.72 ALDH1A1 (0.49) IKBKBMAPTALDH1A1GAAKDM4E
SCHEMBL28531112 0.71 MKNK1 (0.41) KDM4EKEAP1
SCHEMBL28536246 0.70 PARP1 (0.49) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4452050 0.70 BTK (0.50) IKBKBMAPTALDH1A1GAAKDM4E
SCHEMBL28529474 0.69 FEN1 (0.34) PIK3CB

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-107311921-B Aryl or heteroaryl substituted benzene compounds EPIZYME股份有限公司 2021-02-12 CN disclosed