SCHEMBL31211291

SCHEMBL31211291

CCOc1c2cccc(C(N)=O)c2nn1C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.44
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RPS6KB1 P23443 9/20 0.41
AURKA O14965 5/20 0.40
AURKB Q96GD4 1/20 0.40
ATM Q13315 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
SCHEMBL29168339 0.87 KDM4E (0.41) KDM4EL3MBTL1ATM
SCHEMBL30088599 0.73 PARP1 (0.46) PARP1KDM4EL3MBTL1RPS6KB1AURKA
SCHEMBL10126200 0.68 KMT2A (0.68) PARP1KDM4E
SCHEMBL28138780 0.67 PIM3 (0.44) PARP1KDM4EL3MBTL1
Ethenzamide SCHEMBL27612766 0.66 MAPT (0.68) PARP1KDM4EL3MBTL1
Ethenzamide SCHEMBL25624 0.66 MAPT (0.68) PARP1KDM4EL3MBTL1
SCHEMBL7534601 0.66 ALDH1A1 (0.49) PARP1KDM4E
SCHEMBL30344154 0.66 CYP3A4 (0.50) L3MBTL1
SCHEMBL3189724 0.66 TSHR (0.53) L3MBTL1
SCHEMBL288797 0.66 TSHR (0.45) PARP1KDM4EL3MBTL1

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-2024182778-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 WO disclosed