SCHEMBL9233259

SCHEMBL9233259

NC(=O)c1csc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ICAM1 P05362 1/20 0.48
SELE P16581 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CHEK2 O96017 1/20 0.45
F10 P00742 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SCN9A Q15858 5/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
PIN1 Q13526 1/20 0.42
CYP2C9 P11712 2/20 0.42
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL28320654 0.89 MAPT (0.50) MAPTICAM1SELEALDH1A1KDM4E
SCHEMBL16398928 0.82 KDM4E (0.57) MAPTALDH1A1KDM4EKMT2ACYP2C9
SCHEMBL9236648 0.81 ICAM1 (0.46) MAPTICAM1SELEALDH1A1CHEK2
SCHEMBL8569584 0.78 MAPT (0.73) MAPTICAM1SELEALDH1A1CHEK2
SCHEMBL16400081 0.77 ALDH1A1 (0.50) MAPTICAM1SELEALDH1A1F10
SCHEMBL18002916 0.77 SMN1; SMN2 (0.43) MAPTICAM1SELEALDH1A1F10
SCHEMBL9234917 0.76 ICAM1 (0.49) MAPTICAM1SELEALDH1A1CHEK2
SCHEMBL8722720 0.75 MAPT (0.49) MAPTICAM1SELEALDH1A1CHEK2
SCHEMBL3844011 0.75 MAPT (0.58) MAPTICAM1SELEALDH1A1CHEK2
SCHEMBL9669008 0.74 MAPT (0.44) MAPTICAM1SELEALDH1A1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700394-A1 HERBICIDAL THIAZOLE DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-03-13 EP disclosed
WO-1994027983-A1 HERBICIDAL THIAZOLE DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-12-08 WO disclosed