SCHEMBL7680080

SCHEMBL7680080

OCC1=NN=C(c2ccccc2)[N]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.39
TDO2 P48775 1/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 2/20 0.33
BACE1 P56817 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MMP1 P03956 1/20 0.33
MMP12 P39900 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 3/20 0.33
PTGS2 P35354 1/20 0.33
KMT2A Q03164 1/20 0.32
ABCC4 O15439 1/20 0.32
LMNA P02545 1/20 0.32
PTGS1 P23219 1/20 0.32
HTT P42858 1/20 0.32
HPGD P15428 1/20 0.32
BCL2L1 Q07817 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL7674967 0.80 MKNK1 (0.50) GAAALDH1A1LMNAHTTHPGD
SCHEMBL7682660 0.77 ALDH1A1 (0.47) NOTUMBACE1ALDH1A1KMT2ALMNA
Biphenyl SCHEMBL23270852 0.62 ALDH1A1 (0.69) NOTUMTSHRGAABACE1ALDH1A1
Biphenyl SCHEMBL28026828 0.61 ALDH1A1 (0.56) TSHRGAABACE1PDCD1CD274
Biphenyl SCHEMBL5009103 0.60 ALDH1A1 (0.64) NOTUMTSHRGAABACE1ALDH1A1
SCHEMBL21151453 0.60 ALDH1A1 (0.53) NOTUMBACE1ALDH1A1KMT2ALMNA
Biphenyl SCHEMBL472033 0.59 LMNA (0.58) TSHRGAAMMP1MMP12ALDH1A1
Biphenyl SCHEMBL3279732 0.59 TSHR (0.82) TSHRGAABACE1PDCD1CD274
Biphenyl SCHEMBL28098924 0.58 ALDH1A1 (0.90) NOTUMTSHRGAABACE1ALDH1A1
Biphenyl SCHEMBL8816010 0.58 ALDH1A1 (0.90) NOTUMALDH1A1LMNAHTTBCL2L1

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 9 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
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP disclosed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO disclosed