SCHEMBL8448295

SCHEMBL8448295

COCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(C#N)c(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
MAOA P21397 2/20 0.51
AR P10275 2/20 0.46
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 1/20 0.42
NSD2 O96028 1/20 0.41
NSD3 Q9BZ95 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL4263710 1.00 MAOB (0.51) MAOBMAOAARKDM4EMAPK1
SCHEMBL1316490 0.86 AR (0.44) MAOBMAOAARKDM4EMAPK1
SCHEMBL19314866 0.86 AR (0.44) MAOBMAOAARKDM4EMAPK1
SCHEMBL2135694 0.82 MRGPRX4 (0.48) MAOBMAOAARKDM4ETDP1
SCHEMBL8251612 0.82 MAOB (0.41) MAOBMAOAAR
SCHEMBL10241698 0.81 MAOB (0.41) MAOBMAOAARNSD2NSD3
SCHEMBL11963154 0.81 CYP11B1 (0.47) AR
SCHEMBL13876611 0.81 MAOB (0.40) MAOBMAOAARKDM4EMAPK1
SCHEMBL12116989 0.81 MAOB (0.43) MAOBMAOAARNPC1RAB9A
SCHEMBL30609568 0.81 MAOB (0.44) MAOBMAOAAR

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-0751977-B1 SUBSTITUTED PHTHALOCYANINES SECR DEFENCE (GB) 1999-04-28 EP disclosed
US-5792860-A LIQUID CRYSTAL COMPOUND OR LIQUID CRYSTAL POLYMER FOR USE ELECTROOPTICAL DEVICES, OPTICAL RECORDING MEDIA THE SECRETARY OF STATE FOR DEFENCE IN HER MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND OF DEFENCE EVAULATION RESEARCH AGENCY (GB) 1998-08-11 US disclosed
EP-0751977-A1 SUBSTITUTED PHTHALOCYANINES THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-01-08 EP disclosed
WO-1995026381-A1 SUBSTITUTED PHTHALOCYANINES THE SECRETARY OF STATE FOR DEFENCE (GB) 1995-10-05 WO disclosed