SCHEMBL7363965

SCHEMBL7363965

CC(=O)c1ccccc1NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.50
AKR1C2 P52895 2/20 0.50
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50
PDK3 Q15120 1/20 0.50
PDK4 Q16654 1/20 0.50
CNR2 P34972 1/20 0.47
POLB P06746 3/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.44
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C1 Q04828 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42

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
SCHEMBL25449209 0.84 AKR1C3 (0.66) AKR1C3AKR1C2PDK1PDK2PDK3
SCHEMBL522766 0.82 AKR1C3 (0.50) AKR1C3AKR1C2PDK1PDK2PDK3
SCHEMBL848499 0.82 POLB (0.64) AKR1C3AKR1C2PDK1PDK2PDK3
SCHEMBL31087257 0.82 POLB (0.64) AKR1C3AKR1C2PDK1PDK2PDK3
SCHEMBL27900539 0.82 AKR1C3 (0.50) AKR1C3AKR1C2PDK1PDK2PDK3
SCHEMBL20219732 0.80 AKR1C3 (0.49) AKR1C3AKR1C2PDK1PDK2PDK3
SCHEMBL29808973 0.80 CYP2C19 (0.69) PDK1PDK2PDK3PDK4CNR2
SCHEMBL6857308 0.80 NPC1 (0.57) AKR1C3AKR1C2PDK1PDK2PDK3
SCHEMBL505353 0.80 CYP2C19 (0.69) PDK1PDK2PDK3PDK4CNR2
Hydrochloric Acid SCHEMBL15974089 0.80 POLB (0.62) AKR1C3AKR1C2PDK1PDK2PDK3

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
EP-0966433-B1 PREPARATION OF N-ARYL-N-HYDROXAMIDES CONSORTIUM ELEKTROCHEM IND (DE) 2002-05-22 EP disclosed
US-6232492-B1 REACTING ARYLHYDROXYLAMINE WITH A KETENE CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2001-05-15 US disclosed
EP-0966433-A1 PREPARATION OF N-ARYL-N-HYDROXAMIDES Consortium für elektrochemische Industrie GmbH (DE) 1999-12-29 EP disclosed
WO-1998038159-A1 PREPARATION OF N-ARYL-N-HYDROXAMIDES Consortium für elektrochemische Industrie GmbH (DE) 1998-09-03 WO disclosed
US-4657906-A CARDIOVASCULAR DISORDERS SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1987-04-14 US disclosed
US-4556711-A CARDIOTONIC AGENTS SMITH KLINE & FRENCH LABORATORIES LTD. (US) 1985-12-03 US disclosed
EP-0096517-A2 Aryl pyrazinones SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-12-21 EP disclosed