SCHEMBL8931349

SCHEMBL8931349

Cc1ncsc1CC(C)Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SLC6A3 Q01959 1/20 0.41
KAT2B Q92831 1/20 0.35
PDE10A Q9Y233 1/20 0.35
PKM P14618 1/20 0.34
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
PDE8B O95263 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
FBP1 P09467 1/20 0.31
ALOX15 P16050 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
SCHEMBL12919878 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL8712755 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL9359007 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL8931336 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL28244029 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL10667247 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL859923 0.74
SCHEMBL2650938 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL767915 0.72 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7354802 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5648498-A Process for the preparation of 4-methyl-5-(2-chloroethyl)-thiazole and analogues thereof ASTRA AKTIEBOLAG (SE) 1997-07-15 US disclosed
EP-0619815-B1 PROCESS FOR THE PREPARATION OF 4-METHYL-5-(2-CHLOROETHYL)-THIAZOLE AND ANALOGUES THEREOF ASTRA AB (SE) 1997-04-16 EP disclosed
EP-0546306-B1 5-(2-Chloroalkyl)-4-methylthiazoles, their preparation and their use, and intermediates for their preparation ASTRA AB (SE) 1997-04-16 EP disclosed
US-5534644-A Process for the preparation of 4-methyl-5-(2-chloroethyl)-thiazole and analogues thereof AKTIEBOLAGET ASTRA (SE) 1996-07-09 US disclosed
EP-0619815-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-METHYL-5-(2-CHLOROETHYL)-THIAZOLE AND ANALOGUES THEREOF. ASTRA AB (SE) 1994-10-19 EP disclosed
WO-1993009107-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-METHYL-5-(2-CHLOROETHYL)-THIAZOLE AND ANALOGUES THEREOF AKTIEBOLAGET ASTRA (SE) 1993-05-13 WO disclosed