SCHEMBL29865634

SCHEMBL29865634

COCC(=O)Nc1cccc2c1CCNC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
LMNA P02545 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.43
P2RX7 Q99572 1/20 0.42
CD44 P16070 1/20 0.42
KIT P10721 1/20 0.42
FLT1 P17948 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL27372303 0.85 ALDH1A1 (0.52) KDM4EPOLBLMNAL3MBTL1ALDH1A1
SCHEMBL14863130 0.84 CD44 (0.46) KDM4EPOLBLMNAALDH1A1MEN1
SCHEMBL23619640 0.82 ALDH1A1 (0.47) KDM4EPOLBGAALMNAL3MBTL1
SCHEMBL1011302 0.81 NPC1 (0.52) KDM4ETSHRGAALMNAALDH1A1
SCHEMBL11738897 0.76 TSHR (0.45) KDM4ETSHRLMNAL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL11731335 0.76 NPC1 (0.56) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL21743774 0.75 MEN1 (0.55) KDM4EGAALMNAALDH1A1MEN1
SCHEMBL21743777 0.75 ALDH1A1 (0.43) KDM4EPOLBLMNAALDH1A1MEN1
SCHEMBL16268278 0.75 CD44 (0.45) KDM4EPOLBTSHRLMNAL3MBTL1
SCHEMBL8207031 0.75 L3MBTL1 (0.51) KDM4EPOLBTSHRL3MBTL1MEN1

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-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