SCHEMBL6400602

SCHEMBL6400602

O=C1c2ccc(C#Cc3ccccc3)cc2C(=O)N1c1ccc(Oc2cccc(N3C(=O)c4ccc(C#Cc5ccccc5)cc4C3=O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.56
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
MAPK1 P28482 1/20 0.51
LPAR1 Q92633 1/20 0.50
LPAR5 Q9H1C0 1/20 0.50
LPAR3 Q9UBY5 1/20 0.50
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.47
MCHR1 Q99705 1/20 0.47
PTGES O14684 1/20 0.45
GRM5 P41594 4/20 0.45
ESR1 P03372 1/20 0.45
MGLL Q99685 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL19689371 0.99 BRD4 (0.58) BRD4MEN1KMT2APOLBMAPK1
SCHEMBL15695540 0.94 BRD4 (0.56) BRD4MEN1KMT2APOLBMAPK1
SCHEMBL84247 0.92 MEN1 (0.58) BRD4MEN1KMT2APOLBMAPK1
SCHEMBL10000448 0.91 BRD4 (0.55) BRD4MEN1KMT2APOLBMAPK1
SCHEMBL10000443 0.90 MEN1 (0.56) BRD4MEN1KMT2APOLBMAPK1
SCHEMBL29308141 0.89 BRD4 (0.56) BRD4MEN1KMT2APOLBMAPK1
SCHEMBL12908006 0.88 MEN1 (0.49) BRD4MEN1KMT2APOLBMAPK1
SCHEMBL12908009 0.88 MEN1 (0.49) BRD4MEN1KMT2APOLBMAPK1
SCHEMBL13023415 0.87 MEN1 (0.57) BRD4MEN1KMT2APOLBALDH1A1
SCHEMBL14259658 0.86 MEN1 (0.50) BRD4MEN1KMT2APOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911519-B2 For use as films, melt coatings, adhesives, matrix and RTM resins; protective coatings of optical fibers UNIVERSITY OF CONNECTICUT (US) 2005-06-28 US claimed
US-20040006196-A1 Low viscosity melt processable high temperature polyimides UNIVERSITY OF CONNECTICUT 2004-01-08 US claimed
US-6395907-B1 Preparation of polyaromatic-ethynyl thermal setting agents VIRGINIA COMMONWEALTH UNIVERSITY 2002-05-28 US disclosed