SCHEMBL9587476

SCHEMBL9587476

Clc1ccc(-c2nc3ccc[c]c3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
GAA P10253 3/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
NOTUM Q6P988 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 2/20 0.39
APP P05067 2/20 0.39
MGLL Q99685 1/20 0.39
MAOB P27338 1/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL35236 0.85 KDM4E (0.42) KDM4EGAARAB9ASMN1; SMN2LMNA
SCHEMBL10505563 0.82 KDM4E (0.56) KDM4ERAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL547703 0.73 DYRK1A (0.49) ALDH1A1APP
SCHEMBL3007676 0.73 RAB9A (0.69) KDM4EGAAMGAMRAB9ASMN1; SMN2
SCHEMBL5969912 0.70 PI4KA (0.37) KDM4EGAARAB9ASMN1; SMN2LMNA
SCHEMBL25028293 0.68 APP (0.61) KDM4EGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL4750497 0.68 SMN1; SMN2 (0.38) KDM4EGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL5543533 0.68 NOTUM (0.54) KDM4ENOTUMCASP3SENP8SENP7
Acetic Acid SCHEMBL28836679 0.67 MGLL (0.61) KDM4EGAAMGAMRAB9ASMN1; SMN2
SCHEMBL25028283 0.67 ALDH1A1 (0.52) KDM4EGAAMGAMSIMGAM2

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 5 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-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