SCHEMBL11279731

SCHEMBL11279731

CCOC(=O)c1sc(Cl)nc1-c1ccccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.69
DBF4 Q9UBU7 7/20 0.69
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 1/20 0.51
GRM6 O15303 1/20 0.51
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
HPGD P15428 1/20 0.49
DHODH Q02127 5/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2690751 0.88 CDC7 (0.68) CDC7DBF4ALDH1A1HSD17B10GRM6
SCHEMBL29876744 0.88 CDC7 (0.68) CDC7DBF4ALDH1A1HSD17B10GRM6
SCHEMBL11163073 0.87 ALDH1A1 (0.69) CDC7DBF4ALDH1A1HSD17B10GRM6
SCHEMBL10268830 0.87 CDC7 (0.67) CDC7DBF4ALDH1A1HSD17B10GRM6
SCHEMBL8823140 0.85 ALDH1A1 (0.70) CDC7DBF4ALDH1A1HSD17B10GRM6
SCHEMBL8823115 0.85 CDC7 (0.85) CDC7DBF4ALDH1A1HSD17B10MAPT
SCHEMBL5528106 0.85 CDC7 (0.64) CDC7DBF4ALDH1A1HSD17B10GRM6
SCHEMBL9750566 0.85 CDC7 (0.51) CDC7DBF4ALDH1A1HSD17B10NPC1
SCHEMBL3893108 0.84 ALDH1A1 (0.71) CDC7DBF4ALDH1A1HSD17B10HPGD
SCHEMBL8823068 0.81 CDC7 (0.59) CDC7DBF4ALDH1A1HSD17B10GRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4336389-A 2-Substituted-4-aryl-5-thiazolecarboxylic acids and their derivatives as safening agents MONSANTO COMPANY (US) 1982-06-22 US disclosed