SCHEMBL7905522

SCHEMBL7905522

Nc1c(O)cc2c(ccc3ccccc32)c1C1=CC(=O)C=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
HKDC1 Q2TB90 2/20 0.39
CCR6 P51684 1/20 0.39
HPRT1 P00492 4/20 0.39
NSD2 O96028 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 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
SCHEMBL7912462 0.82 CYP1A2 (0.53) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL7914952 0.80 ALDH1A1 (0.53) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL9387839 0.78 HKDC1 (0.60) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL11577947 0.77 CYP1A2 (0.53) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL7912453 0.76 ALDH1A1 (0.44) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL7905047 0.74 ALDH1A1 (0.53) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL7915491 0.74 ALDH1A1 (0.53) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL6665985 0.73 ALDH1A1 (0.48) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL27375220 0.73 HKDC1 (0.50) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL28332888 0.72 HSD17B3 (0.54) CYP2C19CYP1A2CYP2C9ALDH1A1HPGD

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 12 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
EP-0320227-B1 Method of preventing polymer-scale formation SHINETSU CHEMICAL CO (JP) 1994-09-07 EP disclosed
US-4933399-A COATING INSIDE OF VESSEL WITH A CATIONIC DYE, DRYING, COATING WITH AN ANIONIC OR AMPHOTERIC POLYMER OR A HYDROXYL-CONTAINING COMPOUND IN A SOLVENT SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-06-12 US disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
EP-0320227-A2 Method of preventing polymer-scale formation Shin-Etsu Chemical Co., Ltd. (JP) 1989-06-14 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
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed