SCHEMBL7846469

SCHEMBL7846469

NC(=S)c1ccc(Cl)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.41
KCNQ2 O43526 2/20 0.41
KCNE1 P15382 2/20 0.41
KCNQ1 P51787 2/20 0.41
KCNQ5 Q9NR82 1/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
PRKCI P41743 1/20 0.38
SLC6A4 P31645 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
MAOB P27338 1/20 0.35
CES2 O00748 1/20 0.34

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
SCHEMBL3374366 0.83 HTT (0.48) KCNQ3KCNQ2KCNE1KCNQ1HTT
SCHEMBL4830385 0.80 TSHR (0.52) HTTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2581780 0.80 CES2 (0.54) KCNQ3KCNQ2HTTPRKCISMN1; SMN2
SCHEMBL29484322 0.80 CES2 (0.54) KCNQ3KCNQ2HTTPRKCISMN1; SMN2
SCHEMBL12884913 0.79 LMNA (0.48) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL31163926 0.79 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL13665595 0.79 KCNQ3 (0.41) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL1719358 0.79 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
Hydrochloric Acid SCHEMBL9030538 0.78 LMNA (0.52) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL4587247 0.76 KDM1A (0.45) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed