SCHEMBL29720883

SCHEMBL29720883

Cc1cc(C(N)=O)c(=O)n(-c2ccc(F)cc2)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
NOTUM Q6P988 1/20 0.44
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 1/20 0.39
USP14 P54578 2/20 0.37
USP7 Q93009 1/20 0.37
MAPK14 Q16539 1/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
USP5 P45974 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGS2 P35354 1/20 0.36
CHRNA7 P36544 1/20 0.36
HTR7 P34969 1/20 0.36
THRB P10828 1/20 0.35
HPD P32754 1/20 0.35
GSK3A P49840 1/20 0.35

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
SCHEMBL29812432 0.87 NOTUM (0.49) L3MBTL1NOTUMKDM4ESMN1; SMN2POLB
SCHEMBL29721079 0.83 ALDH1A1 (0.41) L3MBTL1NOTUMKDM4ESMN1; SMN2POLB
SCHEMBL29720825 0.81 KDM4E (0.50) L3MBTL1NOTUMKDM4ESMN1; SMN2POLB
SCHEMBL29812304 0.81 NOTUM (0.49) L3MBTL1NOTUMKDM4ESMN1; SMN2POLB
SCHEMBL29720715 0.79 HPGD (0.38) L3MBTL1NOTUMKDM4ESMN1; SMN2POLB
SCHEMBL28288439 0.78 L3MBTL1 (0.50) L3MBTL1NOTUMKDM4ESMN1; SMN2POLB
SCHEMBL29812604 0.77 NOTUM (0.48) L3MBTL1NOTUMKDM4ESMN1; SMN2POLB
SCHEMBL29812139 0.77 NOTUM (0.45) L3MBTL1NOTUMKDM4ESMN1; SMN2POLB
SCHEMBL21776571 0.75 NOTUM (0.46) L3MBTL1NOTUMKDM4ESMN1; SMN2POLB
SCHEMBL28881430 0.75 NOTUM (0.46) L3MBTL1NOTUMKDM4EMAPTHPGD

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-110627796-B Nitrogenous heterocyclic derivative and application thereof in medicine 北京越之康泰生物医药科技有限公司 2022-07-12 CN disclosed