SCHEMBL7918987

SCHEMBL7918987

O=[N+]([O-])c1ccc2[nH]nc(-c3ccccc3)c2c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
MAPT P10636 2/20 0.55
ABCC8 Q09428 2/20 0.51
KCNJ11 Q14654 2/20 0.51
LRRK2 Q5S007 1/20 0.44
GPR68 Q15743 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TTK P33981 2/20 0.42
ALPL P05186 1/20 0.42
GAA P10253 1/20 0.42
IDO1 P14902 1/20 0.42
MAPK10 P53779 1/20 0.42
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
DCLK1 O15075 1/20 0.40
PRKD3 O94806 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
SCHEMBL6850338 0.82 MAPT (0.54) HPGDMAPTABCC8KCNJ11LRRK2
SCHEMBL27982550 0.72 ABCC8 (0.63) HPGDMAPTABCC8KCNJ11GPR68
SCHEMBL4008191 0.71 HPGD (0.62) HPGDMAPTABCC8KCNJ11LRRK2
SCHEMBL11495169 0.71 ABCC8 (0.61) HPGDMAPTABCC8KCNJ11GPR68
SCHEMBL10730917 0.71 ABCC8 (0.61) HPGDMAPTABCC8KCNJ11ALDH1A1
SCHEMBL4007995 0.71 MAPT (1.00) HPGDMAPTLRRK2ALDH1A1KDM4E
SCHEMBL8599477 0.70 KMT2A (0.49) HPGDMAPTABCC8KCNJ11ALDH1A1
SCHEMBL5075042 0.70 LRRK2 (0.46) HPGDMAPTABCC8KCNJ11LRRK2
SCHEMBL8336886 0.69 MAPT (0.55) HPGDMAPTLRRK2ALDH1A1KDM4E
SCHEMBL10981711 0.69 ABCC8 (0.55) HPGDMAPTABCC8KCNJ11GPR68

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
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed