SCHEMBL2173944

SCHEMBL2173944

CCN(Cc1n[nH]c2c1COc1ccc(C)cc1-2)C(=O)c1ccc(Br)o1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.40
THRB P10828 1/20 0.38
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
TSHR P16473 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
PARP1 P09874 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL2171124 0.73 PGR (0.41) TP53THRBKMT2ALMNAMAPT
SCHEMBL2173433 0.71 NR1H4 (0.48) TP53KMT2ALMNAMAPTMEN1
SCHEMBL2171158 0.68 TP53 (0.43) TP53THRBKMT2AMAPTMEN1
SCHEMBL2172075 0.68 KDM4E (0.42) TP53THRBKMT2ALMNAMAPT
SCHEMBL2567579 0.66 KMT2A (0.63) TP53KMT2ALMNAMAPTMEN1
SCHEMBL2173102 0.62 KDM4E (0.42) TP53THRBKMT2ALMNAMAPT
SCHEMBL3515824 0.57 MAPT (0.42) TP53KMT2AMAPTMEN1ALDH1A1
SCHEMBL12677919 0.55 HPGD (0.47) KMT2ALMNAMAPTMEN1ALDH1A1
SCHEMBL12601746 0.54 ALDH1A1 (0.54) TP53KMT2ALMNAMAPTMEN1
SCHEMBL4659776 0.54 KMT2A (0.54) TP53KMT2ALMNAMAPTMEN1

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-2346832-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS Glaxo Group Limited (GB) 2011-07-27 EP claimed
WO-2010049366-A1 TRICYCLIC COMPOUNDS AS GLUTAMATE RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2010-05-06 WO claimed