SCHEMBL9537314

SCHEMBL9537314

Cc1c[c]c2c(C#N)c[nH]c2c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.37
IMPDH1 P20839 1/20 0.37
MCL1 Q07820 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
HASPIN Q8TF76 1/20 0.32
HSP90AB1 P08238 2/20 0.31
LRRK2 Q5S007 2/20 0.31
DPYD Q12882 1/20 0.31

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
SCHEMBL2306030 0.79 PDE4B (0.38) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL15064050 0.71 TSHR (0.33)
SCHEMBL6600237 0.68 IMPDH2 (0.56) IMPDH2IMPDH1MCL1CCNT1CDK9
SCHEMBL2300723 0.68 IMPDH2 (0.52) IMPDH2IMPDH1MCL1CCNT1CDK9
SCHEMBL9537115 0.66 KDM4E (0.40) MCL1DPYD
SCHEMBL10569838 0.66 HSP90AB1 (0.39) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL586707 0.66 BRD4 (0.41) IMPDH2IMPDH1MCL1CCNT1CDK9
SCHEMBL6599646 0.64 IMPDH2 (0.56) IMPDH2IMPDH1CCNT1CDK9HASPIN
SCHEMBL13202452 0.63 NR4A2 (0.44) IMPDH2IMPDH1MCL1CCNT1CDK9
SCHEMBL15064077 0.63 ALDH1A1 (0.31)

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