SCHEMBL27605987

SCHEMBL27605987

COC(=O)c1ccc2c(c1)c(=O)n(CC(N)=O)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 15/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.46
▸ PKM P14618 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL27588258 0.85 PKM (0.56) PARGRXFP1PKMKDM4EALDH1A1
SCHEMBL27605944 0.82 PARG (0.55) PARGRXFP1PKMKDM4EALDH1A1
SCHEMBL27588009 0.81 PARG (0.54) PARGRXFP1
SCHEMBL27588021 0.81 PARG (0.54) PARGRXFP1
SCHEMBL6245488 0.81 MMP13 (0.60) PARGPKMALDH1A1GAAMAPT
SCHEMBL27605948 0.80 PARG (0.66) PARGRXFP1PKMKDM4EALDH1A1
SCHEMBL7627149 0.80 MAPT (0.51) RXFP1KDM4EALDH1A1HPGDKMT2A
SCHEMBL27588029 0.80 PARG (0.52) PARGMAPT
SCHEMBL7097504 0.79 PARG (0.57) PARGRXFP1
SCHEMBL7103213 0.79 PARG (0.52) PARGRXFP1PKMKDM4EALDH1A1

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-1537105-A Quinazolines useful as MMP-13 inhibitors ��������ʲ��������ι�˾ 2004-10-13 — — CN disclosed
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