SCHEMBL9535402

SCHEMBL9535402

NC(=O)c1c[c]c2cc[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ENPP2 Q13822 1/20 0.39
AR P10275 1/20 0.35
F2 P00734 1/20 0.34
RIPK1 Q13546 1/20 0.34
CCNT1 O60563 1/20 0.33
CCND1 P24385 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CCNH P51946 1/20 0.33
MNAT1 P51948 1/20 0.33
CDK6 Q00534 1/20 0.33
PARP1 P09874 5/20 0.32
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL30201702 0.69 ALDH1A1 (0.70) HSD17B10KDM4EALDH1A1HPGDENPP2
SCHEMBL50552 0.69 ALDH1A1 (0.70) HSD17B10KDM4EALDH1A1HPGDENPP2
SCHEMBL25385833 0.68 AHR (0.45)
Hydrochloric Acid SCHEMBL8915608 0.68 ALDH1A1 (0.68) HSD17B10KDM4EALDH1A1HPGDENPP2
SCHEMBL5748994 0.68 PARP1 (0.43) HSD17B10KDM4EALDH1A1F2PARP1
SCHEMBL29566955 0.68 ALDH1A1 (0.68) HSD17B10KDM4EALDH1A1HPGDENPP2
Iodide SCHEMBL8916427 0.68 ALDH1A1 (0.68) HSD17B10KDM4EALDH1A1HPGDENPP2
Bromide SCHEMBL8916350 0.68 ALDH1A1 (0.68) HSD17B10KDM4EALDH1A1HPGDENPP2
Benzene SCHEMBL27399226 0.67 ALDH1A1 (0.71) HSD17B10KDM4EALDH1A1HPGDENPP2
SCHEMBL29540009 0.66 F2 (0.68) HSD17B10KDM4EALDH1A1HPGDENPP2

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
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed