SCHEMBL7705373

SCHEMBL7705373

CCOc1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
MAPT P10636 8/20 0.58
LMNA P02545 5/20 0.58
NPSR1 Q6W5P4 2/20 0.58
HPGD P15428 1/20 0.58
ALOX12 P18054 1/20 0.58
NTSR1 P30989 1/20 0.58
CCR6 P51684 1/20 0.58
MCL1 Q07820 1/20 0.58
TDP1 Q9NUW8 2/20 0.50
CTSB P07858 2/20 0.50
GAA P10253 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RECQL P46063 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL15963830 0.86 NPC1 (0.50) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL10826182 0.83 CTSB (0.50) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL589908 0.81 ALDH1A1 (0.61) ALDH1A1MAPTLMNATDP1CTSB
SCHEMBL14842371 0.81 POLB (0.53) MAPTLMNANPSR1HPGDTDP1
SCHEMBL50817 0.80 ALDH1A1 (0.54) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL29378631 0.80 ALDH1A1 (0.54) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL592807 0.79 ALDH1A1 (0.48) ALDH1A1MAPTCTSBGAAKMT2A
SCHEMBL30159613 0.79 ALDH1A1 (0.79) ALDH1A1MAPTLMNATDP1GAA
SCHEMBL2436211 0.79 ALDH1A1 (0.79) ALDH1A1MAPTLMNATDP1GAA
SCHEMBL7788656 0.78 TDP1 (0.80) ALDH1A1MAPTLMNAALOX12TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355826-B1 HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION THE GOODYEAR TIRE & RUBBER COMPANY 2002-03-12 US claimed
EP-0903338-A2 Synthesis of stable nitrile oxide compounds THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-03-24 EP claimed
US-6355826-B1 HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION THE GOODYEAR TIRE & RUBBER COMPANY 2002-03-12 US disclosed
EP-0903338-A2 Synthesis of stable nitrile oxide compounds THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-03-24 EP disclosed
EP-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed
EP-0335274-A2 Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1989-10-04 EP disclosed