SCHEMBL23619665

SCHEMBL23619665

COCC(=O)N(C)c1cccc2c1CCNC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.41
P2RX7 Q99572 1/20 0.36
PRMT5 O14744 1/20 0.35
PNMT P11086 3/20 0.34
MAOB P27338 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL29866041 0.85 CD44 (0.43) CD44PRMT5PNMTMAOBRXRA
SCHEMBL16269131 0.76 CD44 (0.40) CD44PNMTMAOBRXRARXRB
SCHEMBL329305 0.75 CD44 (0.56) CD44PNMTMAOB
SCHEMBL29865634 0.73 KDM4E (0.51) CD44P2RX7PRMT5KDM4EHPGD
Hydrochloric Acid SCHEMBL29586472 0.73 CD44 (0.54) CD44PNMTMAOB
Hydrochloric Acid SCHEMBL21326092 0.73 CD44 (0.54) CD44PNMTMAOB
Hydrochloric Acid SCHEMBL2808299 0.73 CD44 (0.54) CD44PNMTMAOB
SCHEMBL23619623 0.71 ESR2 (0.45) KDM4EADORA1
SCHEMBL23611245 0.70 HSD17B10 (0.35) KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL29865624 0.70 HSD17B10 (0.35) KDM4EHPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115066417-B Factor XIa inhibitors 上海京新生物医药有限公司 2025-05-02 CN disclosed
CN-115066417-A Factor XIa inhibitors 上海京新生物医药有限公司 2022-09-16 CN disclosed
WO-2021136390-A1 BLOOD COAGULATION FACTOR XIA INHIBITOR 上海京新生物医药有限公司 2021-07-08 WO disclosed
WO-2021136390-A1 BLOOD COAGULATION FACTOR XIA INHIBITOR 上海京新生物医药有限公司 2021-07-08 WO disclosed