SCHEMBL8613952

SCHEMBL8613952

COC(C)(c1cccs1)c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.44
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HSPA5 P11021 1/20 0.30
CYP2A6 P11509 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
SCHEMBL8615796 0.77 HSPA5 (0.34) ALOX5CNR1CNR2HSPA5
SCHEMBL8617035 0.72
SCHEMBL9369962 0.72 ALOX5 (0.60) ALOX5
SCHEMBL1614347 0.71 ALOX5 (0.37) ALOX5MEN1LMNAMAPTKMT2A
SCHEMBL12294973 0.71 ALOX5 (0.37) ALOX5MEN1LMNAMAPTKMT2A
SCHEMBL665543 0.71 HSPA5 (0.38) KMT2ACNR1CNR2HSPA5
SCHEMBL684232 0.70
SCHEMBL7402820 0.69 SMN1; SMN2 (0.36) MEN1KMT2ACNR1CNR2
SCHEMBL12262390 0.69 SMN1; SMN2 (0.36) CNR1CNR2
SCHEMBL9369655 0.68 ALOX5 (0.53) ALOX5LMNAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US disclosed
US-5607956-A TREATMENT OF NEURODEGENERATIVE DISORDERS SUCH AS CEREBRAL ISCHEMIA, ALZHEIMER'S DISEASE ASTRA AKTIEBOLAG (SE) 1997-03-04 US disclosed
EP-0707584-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001979-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 WO disclosed