SCHEMBL28530697

SCHEMBL28530697

CCc1c(-c2ccco2)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
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
CFTR P13569 4/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
RECQL P46063 2/20 0.39
MAPK1 P28482 1/20 0.39
BLM P54132 1/20 0.39
LIMK1 P53667 1/20 0.38
PTPN1 P18031 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
USP2 O75604 1/20 0.35

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
SCHEMBL28530617 0.74 IKBKB (0.45) IKBKBKMT2AALDH1A1MEN1HSD17B10
SCHEMBL27983418 0.74 CCNC (0.51) IKBKBALDH1A1HSD17B10HPGD
SCHEMBL28542740 0.73 MKNK1 (0.52) KMT2ACFTR
SCHEMBL18920571 0.72 IKBKB (0.43) IKBKBKMT2AALDH1A1MEN1TDP1
SCHEMBL28525528 0.72 BTK (0.44) IKBKBKMT2AALDH1A1MEN1HSD17B10
SCHEMBL28910335 0.71 AR (0.44)
SCHEMBL28531112 0.71 MKNK1 (0.41) KDM4E
SCHEMBL28529474 0.69 FEN1 (0.34)
SCHEMBL28539500 0.68 GRIK1 (0.36) HPGD
SCHEMBL28531660 0.68 SIRT3 (0.36) KMT2AALDH1A1MEN1TDP1HPGD

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