SCHEMBL7683441

SCHEMBL7683441

c1ccc(CC2=NN=C(c3cccnc3)[N]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.49
CYP11B2 P19099 4/20 0.49
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
P2RX7 Q99572 1/20 0.43
CYP3A4 P08684 3/20 0.42
CYP2A6 P11509 3/20 0.42
CYP1A2 P05177 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
EPHX2 P34913 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
CYP2E1 P05181 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 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
SCHEMBL7679937 0.86 NPC1 (0.48) CYP11B1CYP11B2ALDH1A1SMN1; SMN2TSHR
SCHEMBL7673098 0.82 KMT2A (0.43) CYP11B1CYP11B2ALDH1A1SMN1; SMN2TSHR
SCHEMBL7676187 0.79 CYP2A6 (0.47) CYP11B1CYP11B2ALDH1A1SMN1; SMN2HPGD
SCHEMBL7674967 0.79 MKNK1 (0.50) ALDH1A1SMN1; SMN2HPGDCYP3A4CYP2A6
SCHEMBL7680376 0.78 KDM4E (0.47) CYP11B1CYP11B2ALDH1A1SMN1; SMN2HPGD
SCHEMBL7673942 0.76 CYP2A6 (0.44) CYP11B1CYP11B2ALDH1A1SMN1; SMN2HPGD
SCHEMBL7674216 0.75 CYP2A6 (0.50) ALDH1A1SMN1; SMN2HPGDTSHRCYP3A4
SCHEMBL7680165 0.74 TBXAS1 (0.51) TBXAS1
SCHEMBL7678740 0.73 CYP2A6 (0.40) CYP11B1CYP11B2ALDH1A1SMN1; SMN2HPGD
SCHEMBL7676360 0.73 CYP2A6 (0.40) CYP11B1CYP11B2ALDH1A1SMN1; SMN2HPGD

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