SCHEMBL8617512

SCHEMBL8617512

Cc1noc(C)c1C(C)(O)c1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.38
EDNRA P25101 2/20 0.33
BRD4 O60885 4/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL8616840 0.74 MLYCD (0.36) MLYCDBRD4BRD2
SCHEMBL8613466 0.73 KDM4E (0.30) KDM4E
SCHEMBL8615946 0.73 RORC (0.36) KDM4E
SCHEMBL8614900 0.70 KDM4E (0.30) KDM4E
SCHEMBL8614886 0.68 KDM4E (0.32) KDM4E
Hydrochloric Acid SCHEMBL8614293 0.67 KDM4E (0.31) KDM4E
SCHEMBL8611734 0.67 CHRM3 (0.32) KDM4E
SCHEMBL2975836 0.66
SCHEMBL9906170 0.66 CYP2E1 (0.43)
SCHEMBL8613471 0.66 KDM4E (0.30) KDM4E

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