SCHEMBL11705159

SCHEMBL11705159

C[S+]([O-])c1nnc(C(F)(F)F)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
S1PR2 O95136 1/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
HIF1A Q16665 1/20 0.30
POLB P06746 1/20 0.30
MPI P34949 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
SCHEMBL11705782 0.84
SCHEMBL9480123 0.79
SCHEMBL11707732 0.79 ALDH1A1 (0.39) ALDH1A1CA1CA2CA4CA5A
SCHEMBL11710091 0.79 ALDH1A1 (0.39) ALDH1A1CA1CA2CA4CA5A
SCHEMBL11705257 0.76 ALDH1A1 (0.37) ALDH1A1CA1CA2CA4CA5A
SCHEMBL11709258 0.74 ALDH1A1 (0.36) ALDH1A1CA1CA2CA4CA5A
SCHEMBL31339479 0.71 ALDH1A1 (0.65) ALDH1A1CA1CA2CA4CA5A
SCHEMBL12205519 0.69
SCHEMBL11554365 0.67
SCHEMBL9509064 0.67

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-2947075-B1 SYNTHESIS METHOD OF THIADIAZOLYLAMIDE DERIVATIVE ZHEJIANG ZHUJI UNITED CHEMICALS CO LTD (CN) 2016-11-16 EP disclosed
EP-2947075-A1 SYNTHESIS METHOD OF THIADIAZOLYLAMIDE DERIVATIVE Zhejiang Zhuji United Chemicals Co., Ltd (CN) 2015-11-25 EP disclosed
US-4061645-A FUNGICIDE, NEMATOCIDE SCHERING AKTIENGESELLSCHAFT (DT) 1977-12-06 US disclosed
US-4005213-A 2,5-Substituted-1,3,4-thiadiazoles as fungicides SCHERING AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed