SCHEMBL7975262

SCHEMBL7975262

O=C(NCc1ccc(OC(F)(F)F)cc1)c1snc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.52
NR1H4 Q96RI1 1/20 0.52
PPARA Q07869 4/20 0.50
PPARD Q03181 2/20 0.50
HTR2C P28335 3/20 0.48
ADRB2 P07550 1/20 0.47
PPARG P37231 2/20 0.46
PTGER4 P35408 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SCN3A Q9NY46 1/20 0.45
PDE2A O00408 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.44
NAMPT P43490 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
MAPK14 Q16539 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL7978455 0.82 TP53 (0.51) LMNA
SCHEMBL13210526 0.75 HDAC8 (0.44) LMNA
SCHEMBL20477542 0.75 EPHX2 (0.74) EPHX2NR1H4PPARAHTR2CPPARG
SCHEMBL14162989 0.74 CETP (0.61) TRPV1MAPK14
SCHEMBL20477564 0.74 HDAC1 (0.59) EPHX2NR1H4PPARAPPARDHTR2C
SCHEMBL13524538 0.72 LTA4H (0.53) EPHX2PPARAPPARDPPARGLMNA
SCHEMBL27859550 0.72 EPHX2 (0.62) EPHX2NR1H4PPARAPPARDHTR2C
SCHEMBL27931800 0.72 EPHX2 (0.70) EPHX2NR1H4PPARAHTR2CPPARG
SCHEMBL6635990 0.72 EPHX2 (0.61) EPHX2NR1H4PPARAPPARDHTR2C
SCHEMBL3577590 0.71 EPHX2 (0.73) EPHX2NR1H4PPARAHTR2CPPARG

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-2001064644-A1 DICHLOROPYRIDYL- AND DICHLOROISOTHIAZOLYL-THIOCARBOXAMIDES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-09-07 WO disclosed