SCHEMBL7680376

SCHEMBL7680376

c1ccc(OCC2=NN=C(c3cccnc3)[N]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2A6 P11509 2/20 0.41
NOTUM Q6P988 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL7673942 0.82 CYP2A6 (0.44) KDM4EHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7673098 0.82 KMT2A (0.43) TDP1L3MBTL1ALDH1A1USP2MAPK1
SCHEMBL7678740 0.78 CYP2A6 (0.40) KDM4EHPGDALDH1A1MAPK1SMN1; SMN2
SCHEMBL7683441 0.78 CYP11B1 (0.49) HPGDL3MBTL1ALDH1A1USP2SMN1; SMN2
SCHEMBL7679937 0.77 NPC1 (0.48) L3MBTL1ALDH1A1USP2SMN1; SMN2CYP3A4
SCHEMBL7676187 0.75 CYP2A6 (0.47) KDM4EHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7674967 0.75 MKNK1 (0.50) KDM4EHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7683444 0.75 CYP2A6 (0.37) KDM4EHPGDALDH1A1SMN1; SMN2CYP3A4
SCHEMBL7676360 0.72 CYP2A6 (0.40) KDM4EHPGDL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7681288 0.72 CHRNB2 (0.41) ALDH1A1CYP3A4CYP2A6GBA1CYP1A2

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