SCHEMBL8675692

SCHEMBL8675692

O=[N+]([O-])c1cccnc1-n1cccn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.52
MAPT P10636 3/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
PDE10A Q9Y233 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.45
GRM5 P41594 1/20 0.44

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
SCHEMBL9825103 0.78 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL28301520 0.78 CYP1A2 (0.61) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL29823784 0.77 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL30426426 0.77 ALDH1A1 (0.52) LMNAMAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL5242261 0.77 ALDH1A1 (0.52) LMNAMAPTMAPK1ALDH1A1L3MBTL1
SCHEMBL1763428 0.76 ALDH1A1 (0.37) LMNAMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL9942591 0.76 ALDH1A1 (0.37) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL781659 0.75 CYP1A2 (0.87) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL3580195 0.74 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19LMNAMAPT
SCHEMBL13314707 0.73 L3MBTL1 (0.40) LMNAMAPTALDH1A1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116547274-A MAGL inhibitors H.隆德贝克有限公司 2023-08-04 CN disclosed
US-5789584-A Substituted-pyridinyl cephalosporin antibiotics active against methicillin resistant bacteria MICROCIDE PHARMACEUTICALS, INC. (US) 1998-08-04 US disclosed
US-5756493-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1998-05-26 US disclosed
US-5698547-A 7-(ACYLAMINO)-3-(ARYLTHIO)-3-CEPHEM-4-CARBOXYLIC ACIDS WHICH EXHIBIT ANTIBACTERIAL ACTIVITY AGAINST ORGANISMS RESISTANT TO BETA-LACTAM ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1997-12-16 US disclosed
CN-1149874-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS INC (US) 1997-05-14 CN disclosed
US-5607926-A ACTIVE AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-03-04 US disclosed
US-5604218-A EXHIBITS ACTIVITY AGAINST METHICILLIN RESISTANT BACTERIA MICROCIDE PHARMACEUTICALS, INC. (US) 1997-02-18 US disclosed
EP-0754184-A1 CEPHALOSPORIN ANTIBIOTICS Microcide Pharmaceuticals, Inc. (US) 1997-01-22 EP disclosed
US-5593986-A Cephalosporin antibiotics MICROCIDE PHARMACEUTICALS, INC. (US) 1997-01-14 US disclosed
WO-1996038450-A1 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1996-12-05 WO disclosed
WO-1995026966-A1 CEPHALOSPORIN ANTIBIOTICS MICROCIDE PHARMACEUTICALS, INC. (US) 1995-10-12 WO disclosed