SCHEMBL6910583

SCHEMBL6910583

Nc1cccc(N2C(=O)c3ccc(C#Cc4ccccc4)cc3C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
USP2 O75604 2/20 0.51
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
GRM5 P41594 5/20 0.46
ESR1 P03372 2/20 0.46
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
TSHR P16473 2/20 0.45
CASP1 P29466 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HCRTR1 O43613 1/20 0.44
NR1H3 Q13133 1/20 0.43
ADRB2 P07550 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL16937189 0.90 GRM5 (0.51) KMT2AMEN1GRM5ESR1RAB9A
SCHEMBL13433471 0.90 GRM5 (0.51) KMT2AMEN1GRM5ESR1RAB9A
SCHEMBL7678431 0.87 ESR1 (0.58) KMT2AMEN1GRM5ESR1ALDH1A1
SCHEMBL2624619 0.86 GRM5 (0.46) KMT2AMEN1GRM5ESR1ALDH1A1
SCHEMBL16927161 0.84 GRM5 (0.54) KMT2AMEN1GRM5ESR1RAB9A
SCHEMBL29842698 0.84 ESR1 (0.67) KMT2AMEN1USP2GRM5ESR1
SCHEMBL28505830 0.84 ESR1 (0.67) KMT2AMEN1USP2GRM5ESR1
SCHEMBL3447114 0.84 GRM5 (0.46) KMT2AMEN1GRM5ESR1RAB9A
SCHEMBL10000450 0.84 MAPK1 (0.53) KMT2AMEN1USP2KEAP1NFE2L2
SCHEMBL13433467 0.84 GRM5 (0.46) KMT2AMEN1GRM5ESR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966493-A4 REDUCED TEMPERATURE CURING OF ACETYLENIC POLYMERS COMMW SCIENT IND RES ORG (AU) 2004-04-21 EP disclosed
US-6344523-B1 POLYIMIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION OF CAMPBELL (AU) 2002-02-05 US disclosed
EP-0966493-A1 REDUCED TEMPERATURE CURING OF ACETYLENIC POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-12-29 EP disclosed
WO-1998040422-A1 REDUCED TEMPERATURE CURING OF ACETYLENIC POLYMERS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1998-09-17 WO disclosed