SCHEMBL6958813

SCHEMBL6958813

O=[N+]([O-])c1cccnc1Nc1cccc(C=Cc2ccc3ccccc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
CYSLTR2 Q9NS75 3/20 0.46
CYSLTR1 Q9Y271 3/20 0.46
TLR4 O00206 2/20 0.44
TLR2 O60603 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RHOA P61586 1/20 0.43
LCK P06239 1/20 0.43
LYN P07948 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
SCHEMBL6958808 1.00 NPC1 (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6803873 0.86 TLR4 (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6803869 0.86 TLR4 (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6802207 0.86 RAB9A (0.58) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6802212 0.86 RAB9A (0.58) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6796952 0.85 TLR4 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6796960 0.85 TLR4 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6799062 0.82 CYSLTR2 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6799069 0.82 CYSLTR2 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL6798714 0.81 TLR4 (0.51) NPC1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0770079-B1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-02-12 EP disclosed
US-6426345-B1 PHOSPHODIESTERASE INHIBITORS; ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-30 US disclosed
EP-0920867-A1 Pyrido[2,3-a]pyrazine derivatives as PDE-IV and TNF inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-06-09 EP disclosed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP disclosed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO disclosed