SCHEMBL5563589

SCHEMBL5563589

N=C(N)Nc1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
PTPRC P08575 1/20 0.49
PTPN13 Q12923 1/20 0.49
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
EGFR P00533 1/20 0.49
PABPC1 P11940 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
FUCA1 P04066 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
SCHEMBL5560042 0.93 MAOA (0.64) MAOAMAPTSMN1; SMN2EGFRPABPC1
SCHEMBL11875820 0.81 MEN1 (0.65) MAOAPTPRCMAPTSMN1; SMN2PABPC1
SCHEMBL7818784 0.78 MAOA (0.87) MAOAPTPRCPTPN13MAPTSMN1; SMN2
SCHEMBL6849448 0.77 MAOA (0.59) MAOAMAPTSMN1; SMN2EGFRPABPC1
SCHEMBL6852445 0.77 MAOA (0.56) MAOAPTPRCPTPN13MAPTSMN1; SMN2
SCHEMBL4123519 0.77 MAPT (0.56) MAOAPTPRCPTPN13MAPTSMN1; SMN2
SCHEMBL11656337 0.77 MAOA (0.64) MAOAPTPRCPTPN13MAPTSMN1; SMN2
SCHEMBL28044169 0.77 MAOA (0.64) MAOAMAPTSMN1; SMN2EGFRPABPC1
SCHEMBL4862664 0.75 PARP14 (0.42) MAOAMAPTPABPC1MAPK1RAB9A
SCHEMBL20892849 0.75 MAOA (0.62) MAOAPTPRCPTPN13MAPTSMN1; SMN2

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
EP-1689705-A4 FUSED RING DICATIONIC ANTI-PROTOZOAN AGENTS AND THEIR PRODRUGS UNIV NORTH CAROLINA (US) 2007-08-29 EP disclosed
EP-1689705-A2 FUSED RING DICATIONIC ANTI-PROTOZOAN AGENTS AND THEIR PRODRUGS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-08-16 EP disclosed
WO-2005051296-A2 FUSED RING DICATIONIC ANTI-PROTOZOAN AGENTS AND THEIR PRODRUGS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-06-09 WO disclosed