SCHEMBL6973315

SCHEMBL6973315

COC(=O)C(=O)Cc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PKM P14618 1/20 0.48
CYP1A2 P05177 3/20 0.46
HPGD P15428 4/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CTSD P07339 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
G6PD P11413 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL7061580 0.87 PKM (0.47) NPC1RAB9APKMCYP1A2HPGD
SCHEMBL5206514 0.87 PDGFRB (0.56) NPC1RAB9APKMCYP1A2HPGD
SCHEMBL1500911 0.86 MEN1 (0.46) NPC1RAB9APKMCYP1A2HPGD
SCHEMBL7644251 0.85 NPC1 (0.44) NPC1RAB9APKMCYP1A2HPGD
SCHEMBL7640146 0.84 CYP1A2 (0.66) CYP1A2HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL6973314 0.84 NPC1 (0.50) NPC1RAB9APKMCYP1A2HPGD
SCHEMBL31235286 0.83 CYP1A2 (0.46) NPC1RAB9ACYP1A2SMN1; SMN2LMNA
SCHEMBL6973098 0.83 CYP1A2 (0.46) NPC1RAB9ACYP1A2SMN1; SMN2LMNA
SCHEMBL6885935 0.83 CYP1A2 (0.46) NPC1RAB9APKMCYP1A2CYP3A4
SCHEMBL7827901 0.82 CYP1A2 (0.54) NPC1RAB9ACYP1A2HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807631-B1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2003-03-12 EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
US-5981752-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1999-11-09 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed
US-5773618-A PYRROLOQUINOLINONE DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1998-06-30 US disclosed
EP-0807631-A1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-11-19 EP disclosed