SCHEMBL7720742

SCHEMBL7720742

O=[N+]([O-])c1c(NCCc2cccs2)ccnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
GPR84 Q9NQS5 1/20 0.43
PDE4B Q07343 2/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 4/20 0.37
ADAM17 P78536 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
EGFR P00533 1/20 0.35
ERBB3 P21860 1/20 0.35

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
SCHEMBL13242139 0.76 KAT2B (0.40) PKMNPC1RAB9ACCNCCDK8
SCHEMBL1742856 0.75 MAPT (0.39) NPC1RAB9ACCNCCDK8SMN1; SMN2
SCHEMBL1742858 0.75 MAPT (0.39) NPC1RAB9ACCNCCDK8SMN1; SMN2
SCHEMBL2552457 0.74 ALDH1A1 (0.50) RAB9ASMN1; SMN2MAPTHTTLMNA
SCHEMBL8782043 0.73 PKM (0.45) PKMGPR84NPC1RAB9ACCNC
SCHEMBL4001406 0.73 KAT2B (0.38) PKMNPC1RAB9ACCNCCDK8
SCHEMBL2572082 0.72 HTT (0.50) PKMSMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL7500922 0.72 ALDH1A1 (0.57) GPR84PDE4BNPC1RAB9ATAAR1
SCHEMBL7034304 0.71 PTGER4 (0.43) PKMCCNCCDK8SMN1; SMN2MAPT
SCHEMBL8606335 0.70 PKM (0.37) PKMNPC1RAB9ATAAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6392049-B1 NITRATION USING NITRIC ACID AVENTIS PHARMACEUTICALS INC. 2002-05-21 US disclosed
US-6307054-B1 HEATING A 5-CARBOXY-2,4-DIHYROXYPYRIDINE AND PHOSPHORIC ACID WHERE THE RATIO OF PHOSPHORIC ACID TO WATER IS NOT LESS THAN ABOUT 27 TO 1 WEIGHT %. AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-10-23 US disclosed
EP-1006115-A2 Imidazopyridines having antihypertensive, cardioprotective, anti-ischemic and antilipolytic properties RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 2000-06-07 EP disclosed
EP-0909270-A1 PROCESS FOR PREPARING 2,4-DIHYDROXYPYRIDINE AND 2,4-DIHYDROXY-3-NITROPYRIDINE RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-04-21 EP disclosed
EP-0909270-A4 1999-04-21 EP disclosed
EP-0758897-A4 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE POULENC RORER PHARMA (US) 1997-11-19 EP disclosed
US-5652366-A ADENOSINE AGONISTS; HYPOTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC, AND ANTILIPOLYTIC AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-29 US disclosed
WO-1997024327-A1 PROCESS FOR PREPARING 2,4-DIHYDROXYPYRIDINE AND 2,4-DIHYDROXY-3-NITROPYRIDINE RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 WO disclosed
EP-0758897-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-02-26 EP disclosed
US-5561134-A ADENOSINE DERIVATIVES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-10-01 US disclosed
WO-1995028160-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-10-26 WO disclosed
US-5364862-A Adenosine derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-11-15 US disclosed
EP-0550631-A4 COMPOUNDS HAVING ANTIHYPERTENSIVE AND ANTI-ISCHEMIC PROPERTIES RHONE POULENC RORER INT (US) 1994-08-10 EP disclosed
EP-0550631-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE AND ANTI-ISCHEMIC PROPERTIES. RHONE POULENC RORER INT (US) 1993-07-14 EP disclosed
WO-1992005177-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE AND ANTI-ISCHEMIC PROPERTIES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-04-02 WO disclosed