SCHEMBL9539003

SCHEMBL9539003

Cc1c[c]c2cc(C(N)=O)[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PIN1 Q13526 1/20 0.33
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
RHEB Q15382 1/20 0.31
FLT3 P36888 1/20 0.31
DHODH Q02127 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL9536203 0.72 ALDH1A1 (0.33)
SCHEMBL2470257 0.71 RHEB (0.40) MAP2K1CCNCCDK8RHEBFLT3
SCHEMBL18183354 0.69 NPC1 (0.56) MAP2K1CCNCCDK8RHEB
SCHEMBL4741398 0.69 FLT3 (0.59) PIN1FLT3
SCHEMBL11457867 0.68 NPC1 (0.41) MAP2K1CCNCCDK8RHEB
SCHEMBL11960184 0.66 PIN1 (0.72) PIN1MMP2MMP13FLT3
SCHEMBL16090785 0.65 MMP2 (0.44) MAP2K1CCNCCDK8PIN1MMP2
SCHEMBL19624741 0.64 NPC1 (0.38) MAP2K1CCNCCDK8RHEB
SCHEMBL12570729 0.62 CCNC (0.51) MAP2K1CCNCCDK8MMP2MMP13
SCHEMBL2406831 0.62 SMYD3 (0.53) MAP2K1CCNCCDK8MMP2MMP13

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