SCHEMBL8604452

SCHEMBL8604452

Cc1ncsc1C(CCl)OS(=O)(=O)CCS(=O)(=O)OC(CCl)c1scnc1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 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
SCHEMBL8604448 0.80 KDM4E (0.32) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL8604455 0.71 KDM4E (0.36) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL9355448 0.71 ALDH1A1 (0.42) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL8200743 0.67 KDM4E (0.44) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL8604445 0.67 KDM4E (0.35) KDM4EMEN1ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL8601572 0.66 KDM4E (0.43) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL2650940 0.63 KDM4E (0.33) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL9319397 0.62
SCHEMBL20604256 0.62 CA1 (0.40) KDM4EMEN1KMT2APKM
SCHEMBL20604258 0.62 CA1 (0.40) KDM4EMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0619734-B1 NEW PHARMACEUTICAL FORMULATIONS OF 5-(2-CHLORO-1-HYDROXYETHYL)-4-METHYLTHIAZOLE ASTRA AB (SE) 1998-03-18 EP claimed
EP-0619734-B1 NEW PHARMACEUTICAL FORMULATIONS OF 5-(2-CHLORO-1-HYDROXYETHYL)-4-METHYLTHIAZOLE ASTRA AB (SE) 1998-03-18 EP disclosed
US-5385921-A Treatment for neurodegeneration, alzheimer's disease, huntington's chorea; antihypoxic agents, antiischemic agents AKTIEBOLAGET ASTRA (SE) 1995-01-31 US disclosed