SCHEMBL8600426

SCHEMBL8600426

Nc1cccc(N2N=CCC2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
MAPT P10636 6/20 0.42
ADRA2C P18825 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CASP1 P29466 2/20 0.40
ALOX15 P16050 1/20 0.40
CASP7 P55210 1/20 0.40
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
APP P05067 1/20 0.36
USP2 O75604 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8131258 0.84 ADRA2C (0.40) DDB1CRBNMAPTADRA2CKMT2A
SCHEMBL28079298 0.80 MGLL (0.46) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL157611 0.80 L3MBTL1 (0.53) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL27627484 0.79 ALDH1A1 (0.47) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL181548 0.78 MEN1 (0.47) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL23295789 0.76 MGLL (0.50) MAPTKMT2AKDM4EALDH1A1GAA
SCHEMBL8867164 0.73 MEN1 (0.49) MAPTKMT2AMEN1KDM4EALDH1A1
Isophthalic Acid SCHEMBL27613227 0.72 KMT2A (0.50) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL15057788 0.71 HDAC4 (0.46) KMT2AMEN1ALDH1A1ALOX15GAA
SCHEMBL1854311 0.71 MAPT (0.70) MAPTKMT2AMEN1KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824720-A1 ACID BLEACHABLE DYE CONTAINING LITHOGRAPHIC PRINTING PLATE COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-02-25 EP disclosed
WO-1996035143-A1 ACID BLEACHABLE DYE CONTAINING LITHOGRAPHIC PRINTING PLATE COMPOSITION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-07 WO disclosed