SCHEMBL11289442

SCHEMBL11289442

COC(=O)c1sc(Cl)nc1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 3/20 0.51
DHODH Q02127 2/20 0.50
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPSR1 Q6W5P4 4/20 0.46

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
SCHEMBL11278098 0.88 LMNA (0.64) ALDH1A1SMN1; SMN2LMNADHODHGAA
SCHEMBL6492363 0.87 PTGDR2 (0.55) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL11159408 0.84 MAPT (0.62) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL11289926 0.82 DHODH (0.51) MAPTALDH1A1LMNADHODHNPSR1
SCHEMBL11284116 0.81 ALDH1A1 (0.50) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL11286855 0.81 SMN1; SMN2 (0.54) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9131445 0.79 MAPT (0.44) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL3406390 0.77 LMNA (0.41) KDM4ERAB9AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9750566 0.77 CDC7 (0.51) MAPTKDM4ENPC1RAB9ACASP3
SCHEMBL10237187 0.76 SMN1; SMN2 (0.57) MAPTKDM4ENPC1RAB9ACASP3

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