SCHEMBL7905236

SCHEMBL7905236

O=[N+]([O-])c1c2ccccc2c(-c2ccccc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
S100A4 P26447 1/20 0.52
HCRTR1 O43613 1/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
LMNA P02545 3/20 0.43
FBP1 P09467 1/20 0.43
TSHR P16473 1/20 0.43
HPRT1 P00492 1/20 0.42
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39

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
SCHEMBL17915420 0.92 S100A4 (0.57) CYP3A4S100A4HCRTR1PKMALDH1A1
SCHEMBL2285808 0.84 CYP3A4 (0.70) CYP3A4S100A4ALDH1A1TDP1LMNA
SCHEMBL29674860 0.84 CYP3A4 (0.70) CYP3A4S100A4ALDH1A1TDP1LMNA
SCHEMBL25575890 0.82 LMNA (0.40) CYP3A4S100A4HCRTR1PKMALDH1A1
SCHEMBL29183046 0.78 ALDH1A1 (0.47) CYP3A4S100A4HCRTR1PKMALDH1A1
SCHEMBL25873047 0.78 S100A4 (0.40) CYP3A4S100A4HCRTR1PKMALDH1A1
SCHEMBL19009871 0.77 S100A4 (0.50) CYP3A4S100A4HCRTR1PKMALDH1A1
SCHEMBL2829878 0.77 S100A4 (0.64) CYP3A4S100A4ALDH1A1TDP1LMNA
SCHEMBL29770070 0.77 ALDH1A1 (0.45) CYP3A4S100A4HCRTR1PKMALDH1A1
SCHEMBL27214760 0.77 ALDH1A1 (0.56) ALDH1A1TDP1LMNACRHBPCRHR2

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