SCHEMBL7079628

SCHEMBL7079628

OP(O)(=S)Oc1c(F)c(F)c(F)c(F)c1F.OP(O)(=S)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.44
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
ANPEP P15144 2/20 0.33
LAP3 P28838 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL852189 0.84 SRC (0.58) SRCCYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL3062985 0.82
SCHEMBL29026419 0.78 SRC (0.53) SRCCYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL7075255 0.77 TSHR (0.45) SRCCA12CA1CA2POLB
SCHEMBL6260761 0.77 SRC (0.52) SRCCYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL1298278 0.77 SRC (0.52) SRCCYP2C9CYP2C19TDP1L3MBTL1
Cyanate SCHEMBL10695476 0.75 SRC (0.48) SRCCYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL5370585 0.73 SRC (0.38) SRCTDP1L3MBTL1CA12CA1
SCHEMBL7106094 0.73 SRC (0.38) SRCTDP1L3MBTL1CA12CA1
SCHEMBL21117276 0.73 SRC (0.47) SRCTDP1L3MBTL1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed