SCHEMBL8614191

SCHEMBL8614191

Cc1ncsc1C(C)(O)c1ccoc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL8615296 0.81
SCHEMBL8687699 0.78 CYP3A4 (0.41) KDM4EPKMALDH1A1CYP2C19KMT2A
SCHEMBL8616818 0.76 RORC (0.32)
SCHEMBL8614886 0.74 KDM4E (0.32) KDM4EPKM
SCHEMBL9270043 0.73 KDM4E (0.34) KDM4EPKM
SCHEMBL9270037 0.73 KDM4E (0.34) KDM4EPKM
Hydrochloric Acid SCHEMBL8614293 0.73 KDM4E (0.31) KDM4EPKM
SCHEMBL8615640 0.73 MAPT (0.39) KDM4EPKMCYP2D6CYP2C9CYP2C19
SCHEMBL8617870 0.72 KDM4E (0.30) KDM4EPKM
SCHEMBL8613498 0.71 KDM4E (0.32) KDM4EPKM

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-5731335-A NERVOUS SYSTEM DISORDERS; STROKE; ANTIISCHEMIC AGENTS; COGNITION ACTIVATORS ASTRA AKTIEBOLAG (SE) 1998-03-24 US claimed
EP-0707584-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS Astra Aktiebolag (SE) 1996-04-24 EP claimed
WO-1995001979-A1 NOVEL (1-HETEROAZOLYL-1-HETEROCYCLYL)ALKANE DERIVATIVES AND THEIR USE AS NEUROPROTECTIVE AGENTS ASTRA AKTIEBOLAG (SE) 1995-01-19 WO claimed
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