SCHEMBL8604445

SCHEMBL8604445

CC(S(=O)(=O)O)S(=O)(=O)O.Cc1ncsc1C(O)CCl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.33
P2RX7 Q99572 2/20 0.32

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
SCHEMBL8604455 0.87 KDM4E (0.36) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL8200743 0.86 KDM4E (0.44) KDM4EMEN1ALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL8601572 0.85 KDM4E (0.43) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL8604448 0.79 KDM4E (0.32) KDM4EMEN1ALDH1A1LMNACYP1A2
Clomethiazole SCHEMBL7346645 0.75 ALDH1A1 (0.68) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL6870706 0.73 KDM4E (0.39) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL28252395 0.72 KDM4E (0.35) KDM4EPKM
SCHEMBL259320 0.71 KDM4E (0.38) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL23384732 0.70 KDM4E (0.37) KDM4EMEN1ALDH1A1LMNACYP1A2
SCHEMBL14962449 0.70 KDM4E (0.37) KDM4EMEN1ALDH1A1LMNACYP1A2

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 5 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
EP-0619734-A1 NEW PHARMACEUTICAL FORMULATIONS OF 5-(2-CHLORO-1-HYDROXYETHYL)-4-METHYLTHIAZOLE Astra Aktiebolag (SE) 1994-10-19 EP disclosed
WO-1992003134-A1 NEW PHARMACEUTICAL FORMULATIONS OF 5-(2-CHLORO-1-HYDROXYETHYL)-4-METHYLTHIAZOLE AKTIEBOLAGET ASTRA (SE) 1992-03-05 WO disclosed