SCHEMBL7676404

SCHEMBL7676404

Cc1noc(C2=NN=C(c3cccnc3)[N]2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.49
TP53 P04637 6/20 0.49
ALDH1A1 P00352 4/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA5 P30532 1/20 0.49
CHRNA4 P43681 1/20 0.49
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
TSHR P16473 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
AHR P35869 1/20 0.47
MAPT P10636 5/20 0.44
HSD17B10 Q99714 1/20 0.44
S1PR1 P21453 3/20 0.43
POLB P06746 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
SCHEMBL5256464 0.83 CHRNB2 (0.69) SMN1; SMN2TP53ALDH1A1NFKB1NFKB2
SCHEMBL7675201 0.73 CYP2A6 (0.52) SMN1; SMN2TP53ALDH1A1NPC1RAB9A
SCHEMBL7676601 0.69 ACHE (0.40) TP53MAPT
SCHEMBL8583296 0.68 ALDH1A1 (0.48) SMN1; SMN2TP53ALDH1A1NFKB1NFKB2
SCHEMBL22629459 0.68 PARP1 (0.49) SMN1; SMN2TP53ALDH1A1NFKB1NFKB2
SCHEMBL806849 0.67 ACHE (0.66) SMN1; SMN2TP53ALDH1A1NFKB1NFKB2
SCHEMBL10094555 0.67 CHRNB2 (0.63) SMN1; SMN2TP53ALDH1A1NFKB1NFKB2
SCHEMBL7677354 0.66 CYP2A6 (0.52) SMN1; SMN2TP53ALDH1A1CHRNB2CHRNA5
SCHEMBL1422890 0.66 CHRNB2 (1.00) SMN1; SMN2TP53ALDH1A1NFKB1NFKB2
SCHEMBL7676187 0.66 CYP2A6 (0.47) SMN1; SMN2TP53ALDH1A1KDM4EHPGD

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