SCHEMBL5993464

SCHEMBL5993464

Cc1ccc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)c(Br)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.67
GSK3B P49841 1/20 0.67
IGF1R P08069 1/20 0.66
KMT2A Q03164 8/20 0.58
MEN1 O00255 7/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
DUSP3 P51452 1/20 0.52
MITF O75030 2/20 0.51
NPSR1 Q6W5P4 3/20 0.51
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
POLB P06746 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
MCL1 Q07820 2/20 0.50
G6PD P11413 2/20 0.50
LMNA P02545 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
GFER P55789 1/20 0.50

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
SCHEMBL3771633 0.91 GSK3A (0.80) GSK3AGSK3BIGF1RKMT2AMEN1
SCHEMBL5463774 0.83 GSK3A (0.68) GSK3AGSK3BIGF1RKMT2AMEN1
SCHEMBL31358728 0.81 GSK3A (0.59) GSK3AGSK3BIGF1RKMT2AMEN1
SCHEMBL3907981 0.79 IGF1R (0.81) GSK3AGSK3BIGF1RDUSP3ITGB2
SCHEMBL3907984 0.79 IGF1R (0.81) GSK3AGSK3BIGF1RDUSP3ITGB2
SCHEMBL10018549 0.79 KMT2A (0.74) KMT2AMEN1L3MBTL1MITFNPSR1
SCHEMBL12632706 0.78 GSK3A (0.61) GSK3AGSK3BIGF1RKMT2AMEN1
SCHEMBL5147292 0.75 PIK3CG (0.71) GSK3AGSK3BKMT2AMEN1L3MBTL1
SCHEMBL16924933 0.73 GSK3A (0.54) GSK3AGSK3BIGF1RKMT2AMEN1
SCHEMBL5168146 0.72 KMT2A (0.69) GSK3AGSK3BIGF1RKMT2AMEN1

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
WO-2012065139-A2 ENTPD5 INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-05-18 WO disclosed