SCHEMBL28525528

SCHEMBL28525528

CCc1c(-c2ccsc2)cc(C(N)=O)c(C)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CHEK2 O96017 6/20 0.41
IKBKB O14920 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2A6 P11509 1/20 0.38
GPR35 Q9HC97 1/20 0.38
CHEK1 O14757 2/20 0.38
CDC7 O00311 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL27983418 0.82 CCNC (0.51) BTKHSD17B10IKBKBALDH1A1CDC7
SCHEMBL28542740 0.79 MKNK1 (0.52) BTKKMT2ACHEK2
SCHEMBL28530617 0.77 IKBKB (0.45) BTKMAPTMEN1KMT2AHSD17B10
SCHEMBL6889935 0.74 BTK (0.41) BTKMAPTMEN1USP2ALOX15
SCHEMBL27983939 0.73 CHEK2 (0.39) MAPTMEN1KMT2ACHEK2ALDH1A1
SCHEMBL28530697 0.72 IKBKB (0.45) MAPTMEN1USP2ALOX15KMT2A
SCHEMBL28531112 0.71 MKNK1 (0.41)
SCHEMBL28529474 0.69 FEN1 (0.34)
SCHEMBL28539500 0.68 GRIK1 (0.36) CDC7BRD4
SCHEMBL28531660 0.68 SIRT3 (0.36) MEN1KMT2AALDH1A1CDC7ADORA3

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