SCHEMBL25811696

SCHEMBL25811696

CCOC(=O)c1cc2ccc(NC(=O)CNC)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PTPN2 P17706 2/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL25810715 0.78 HDAC1 (0.48) HDAC1PTPN2MAPTGAAKMT2A
SCHEMBL8250276 0.76 HDAC1 (0.60) HDAC1PTPN2MAPTGAAKMT2A
SCHEMBL3504483 0.76 HDAC1 (0.55) HDAC1MAPTKMT2AMEN1KDM4E
SCHEMBL3503346 0.76 HDAC1 (0.51) HDAC1CA1CA2PTPN2MAPT
SCHEMBL155423 0.75 PTPN2 (0.50) HDAC1PTPN2MAPTGAAKMT2A
SCHEMBL1390384 0.75 HSD17B1 (0.51) HDAC1CA1CA2PTPN2MAPT
SCHEMBL31207824 0.75 HSD17B1 (0.51) HDAC1CA1CA2PTPN2MAPT
SCHEMBL1883856 0.75 HDAC1 (0.54) HDAC1MAPTKMT2AMEN1KDM4E
SCHEMBL192480 0.75 HDAC1 (0.68) HDAC1CA1CA2PTPN2MAPT
SCHEMBL2238245 0.74 PTPN2 (0.60) HDAC1CA1CA2PTPN2MAPT

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-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed