SCHEMBL28980751

SCHEMBL28980751

[CH2]Cc1c(F)ccc2ccc(=O)n(C)c12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 3/20 0.37
CA12 O43570 1/20 0.37
BRD4 O60885 1/20 0.37
CA9 Q16790 1/20 0.37
KAT2B Q92831 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL3094072 0.83 KDM4E (0.37) BRPF1CA12BRD4CA9KAT2B
SCHEMBL3102060 0.81 BRPF1 (0.35) BRPF1CA12BRD4CA9KAT2B
SCHEMBL30237334 0.81 BRPF1 (0.35) BRPF1CA12BRD4CA9KAT2B
SCHEMBL21820292 0.78 CDK4 (0.33) BRPF1CA12BRD4CA9KAT2B
SCHEMBL20582362 0.78 BRPF1 (0.33) BRPF1CA12BRD4CA9KAT2B
SCHEMBL30236938 0.78 BRPF1 (0.33) BRPF1CA12BRD4CA9KAT2B
SCHEMBL25015067 0.76 HTR1A (0.32) BRPF1CA12BRD4CA9KAT2B
SCHEMBL20582378 0.76 BRPF1 (0.32) BRPF1CA12BRD4CA9KAT2B
SCHEMBL30366008 0.76 BRPF1 (0.32) BRPF1CA12BRD4CA9KAT2B
SCHEMBL3099860 0.74 BRPF1 (0.40) BRPF1CA12BRD4CA9KAT2B

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
CN-110382505-B Heterocyclic compounds useful as antibacterial agents and process for producing the same 巴格沃克斯研究有限公司 2023-04-04 CN disclosed