SCHEMBL5716664

SCHEMBL5716664

O=S(=O)(c1ncccn1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.35
RIPK1 Q13546 6/20 0.34
PTPRZ1 P23471 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALOX12 P18054 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 1/20 0.30
TDP2 O95551 1/20 0.30
NSD2 O96028 1/20 0.30
ABL1 P00519 1/20 0.30
PLCG1 P19174 1/20 0.30
CES1 P23141 1/20 0.30
PAX8 Q06710 1/20 0.30
RIN1 Q13671 1/20 0.30
MEN1 O00255 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
SCHEMBL6002224 0.78 PTPRZ1 (0.32) RIPK1PTPRZ1ALDH1A1
SCHEMBL2599561 0.73 RIPK1 (0.35) RIPK1PTPRZ1ALDH1A1GAA
SCHEMBL6476899 0.73 KDM4E (0.46) OXTRKDM4ELMNAMAPK1CNR1
SCHEMBL30528257 0.73 KDM4E (0.46) OXTRKDM4ELMNAMAPK1CNR1
SCHEMBL4062075 0.70 HSP90AA1 (0.38) ALDH1A1KDM4EALOX12LMNAMAPK1
SCHEMBL5317135 0.70 PTPRZ1 (0.35) RIPK1PTPRZ1
SCHEMBL15718171 0.70 OXTR (0.33) OXTRALDH1A1
SCHEMBL5593062 0.69 TXNRD1 (0.37) ALDH1A1KDM4EALOX12LMNAMAPK1
SCHEMBL29020446 0.69 SLC40A1 (0.38) KDM4ELMNAMAPK1HTTTDP1
SCHEMBL27726966 0.69 CA2 (0.40) OXTRPTPRZ1ALDH1A1LMNAMAPK1

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-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO disclosed