SCHEMBL933331

SCHEMBL933331

CCc1ccc(-c2nc(C#N)n(S(=O)(=O)N(C)C)c2Cl)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
HPGD P15428 2/20 0.33
CYP2A6 P11509 1/20 0.33
CYP19A1 P11511 2/20 0.32
PTGS2 P35354 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
TP53 P04637 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
SCHEMBL9520829 0.88 PTGS2 (0.39) TSHRHPGDPTGS2SMN1; SMN2NPC1
SCHEMBL932694 0.86 KMT2A (0.38) TSHRHPGDPTGS2SMN1; SMN2LMNA
SCHEMBL9323989 0.85 TSHR (0.49) TSHRHPGDSMN1; SMN2NPC1LMNA
SCHEMBL933896 0.84 ADORA1 (0.42) TSHRHPGDSMN1; SMN2NPC1LMNA
SCHEMBL1074601 0.83 TSHR (0.34) TSHRHPGDCYP2A6CYP19A1PTGS2
SCHEMBL932277 0.77 PTGS2 (0.39) TSHRHPGDPTGS2LMNAMAPT
SCHEMBL6775957 0.74 HPGD (0.30) HPGD
SCHEMBL9519745 0.73 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL4858808 0.72 CYP1A2 (0.36) HPGDSMN1; SMN2LMNAMAPTKMT2A
SCHEMBL9519740 0.70 PTGS2 (0.39) TSHRHPGDPTGS2SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451275-A1 AGRICULTURAL OR HORTICULTURAL FUNGICIDE COMPOSITION AND ITS USE FOR CONTROLLING PLANT PATHOGENS Ishihara Sangyo Kaisha, Ltd. (JP) 2012-05-16 EP disclosed
WO-2011004901-A1 AGRICULTURAL OR HORTICULTURAL FUNGICIDE COMPOSITION AND ITS USE FOR CONTROLLING PLANT PATHOGENS ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-01-13 WO disclosed
EP-1194039-A2 PESTICIDAL COMPOSITION AND METHOD FOR CONTROLLING PESTS ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-04-10 EP disclosed
WO-2001005231-A2 PESTICIDAL COMPOSITION AND METHOD FOR CONTROLLING PESTS ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-01-25 WO disclosed
EP-0979034-A1 COMPOSITION FOR CONTROLLING HARMFUL BIO-ORGANISMS AND METHOD FOR CONTROLLING HARMFUL BIO-ORGANISMS USING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-02-16 EP disclosed
WO-1998048628-A1 COMPOSITION FOR CONTROLLING HARMFUL BIO-ORGANISMS AND METHOD FOR CONTROLLING HARMFUL BIO-ORGANISMS USING THE SAME ISHIHARA SANGYO KAISHA, LTD. (JP) 1998-11-05 WO disclosed