SCHEMBL7682660

SCHEMBL7682660

c1ccc(C2=NN=C(c3ccccc3)[N]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
MAPK1 P28482 2/20 0.43
NOTUM Q6P988 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7680080 0.77 NOTUM (0.39) ALDH1A1NOTUMKMT2ALMNAHTT
SCHEMBL21151453 0.73 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL8816010 0.71 ALDH1A1 (0.90) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL10956925 0.68 ALDH1A1 (0.82) ALDH1A1RAB9ANPC1MAPK1NOTUM
SCHEMBL30108088 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL2548048 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL164 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL29008551 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL4002609 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPK1NOTUM
Biphenyl SCHEMBL1358618 0.67 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPK1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US claimed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP claimed
JP-3110467-B2 2000-11-20 JP claimed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP claimed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO claimed
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US disclosed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed