SCHEMBL8616495

SCHEMBL8616495

CC(=O)OCCc1sc(C(C)(O)c2ccsc2)nc1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
TKT P29401 1/20 0.34
FBP1 P09467 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PTPN1 P18031 4/20 0.33
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 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
SCHEMBL8613461 0.82 SRC (0.33)
SCHEMBL8616835 0.79 KDM4E (0.34) CDC7DBF4KDM4EPPARDPPARA
SCHEMBL28594511 0.70 HRH2 (0.54) ALDH1A1TKTFBP1
SCHEMBL1267025 0.69 ALDH1A1 (0.45) ALDH1A1TKTFBP1
SCHEMBL8751841 0.68 CYP1A2 (0.33) ALDH1A1FBP1
SCHEMBL28589456 0.67 ALDH1A1 (0.43) ALDH1A1TKTFBP1
SCHEMBL723115 0.65 OPRM1 (0.47) ALDH1A1
Hydrochloric Acid SCHEMBL27528734 0.64 OPRM1 (0.46) ALDH1A1
SCHEMBL3179603 0.63 CNR2 (0.46) ALDH1A1CDC7DBF4KDM4EPPARA
SCHEMBL8611734 0.62 CHRM3 (0.32) 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