SCHEMBL20867751

SCHEMBL20867751

COC(=O)CNC(=O)CNC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.59
TET2 Q6N021 1/20 0.50
GAA P10253 4/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 4/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 3/20 0.39
EPHX2 P34913 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BIRC2 Q13490 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL468803 0.91
SCHEMBL4809251 0.82 RECQL (0.59) RECQLTET2GAAMGAMSI
SCHEMBL13318899 0.82 RECQL (0.59) RECQLTET2GAAMGAMSI
SCHEMBL28007949 0.82 TET2 (0.50) RECQLTET2GAAMGAMSI
SCHEMBL4809236 0.82 RECQL (0.59) RECQLTET2GAAMGAMSI
SCHEMBL15146916 0.81 TSHR (0.46) RECQLTET2GAAMGAMSI
SCHEMBL30046593 0.80 RECQL (0.57) RECQLTET2GAAMGAMSI
SCHEMBL5349106 0.79 RECQL (0.61) RECQLTET2GAAMGAMSI
SCHEMBL2414615 0.79 RECQL (0.61) RECQLTET2GAAMGAMSI
Hydrochloric Acid SCHEMBL13837362 0.78 RECQL (0.55) RECQLTET2GAAMGAMSI

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118450907-A Antibody drug conjugates 百济神州有限公司 2024-08-06 CN disclosed
WO-2019060998-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-04 WO disclosed