SCHEMBL27697384

SCHEMBL27697384

[CH2]Cc1cccc2c1C(=O)N(Br)C2=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.36
DPP4 P27487 1/20 0.36
TYMS P04818 2/20 0.34
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
CASP1 P29466 1/20 0.32
BRCA1 P38398 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
HSPA1A P0DMV8 1/20 0.31
PABPC1 P11940 1/20 0.31

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
SCHEMBL7687360 0.85 ANPEP (0.38) ANPEPDPP4TYMSMEN1USP2
SCHEMBL461208 0.81 GABRA1 (0.46) ANPEPDPP4MEN1KMT2A
Ethylene SCHEMBL7198617 0.74 CA2 (0.42) MEN1KMT2AHSPA1APABPC1
SCHEMBL3681059 0.73 CA2 (0.44) DPP4MEN1KMT2AHSPA1APABPC1
SCHEMBL1039244 0.72 DPP4 (0.50) DPP4TYMSMEN1KMT2A
SCHEMBL11093043 0.72 HSPA1A (0.33) DPP4MEN1USP2CASP1BRCA1
SCHEMBL3181941 0.69 TYMS (0.30) TYMS
SCHEMBL29385866 0.69 POLB (0.48) MEN1KMT2A
SCHEMBL1771 0.69 POLB (0.48) MEN1KMT2A
SCHEMBL27511454 0.68 ADORA2A (0.52) MEN1KMT2APABPC1

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-85105066-A The production of condensed seven-membered compounds, their and application 1986-12-31 CN disclosed