SCHEMBL7465344

SCHEMBL7465344

CC[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
NTRK1 P04629 1/20 0.41
STING1 Q86WV6 1/20 0.41
GAA P10253 1/20 0.40
IRAK4 Q9NWZ3 9/20 0.40
BACE1 P56817 3/20 0.37
BACE2 Q9Y5Z0 1/20 0.37

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
SCHEMBL24736516 1.00 LMNA (0.52) LMNAPOLBNTRK1STING1GAA
Penthiopyrad SCHEMBL14364841 0.91 LMNA (0.51) LMNAPOLBNTRK1STING1GAA
Penthiopyrad SCHEMBL14364842 0.91 LMNA (0.51) LMNAPOLBNTRK1STING1GAA
Penthiopyrad SCHEMBL18701 0.91 LMNA (0.51) LMNAPOLBNTRK1STING1GAA
SCHEMBL7457962 0.90 LMNA (0.55) LMNAPOLBNTRK1STING1GAA
SCHEMBL3115318 0.90 LMNA (0.50) LMNAPOLBNTRK1STING1GAA
Penthiopyrad SCHEMBL22556056 0.88 LMNA (0.51) LMNAPOLBNTRK1STING1GAA
Penthiopyrad SCHEMBL22556057 0.86 LMNA (0.47) LMNAPOLBNTRK1STING1GAA
SCHEMBL6128085 0.86 LMNA (0.47) LMNAPOLBNTRK1STING1GAA
SCHEMBL5634323 0.85 LMNA (0.49) LMNAPOLBNTRK1STING1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737682-B1 Substituted thiophene derivative and agricultural and horticultural fungicide containing the same as active ingredient MITSUI CHEMICALS INC (JP) 2002-01-09 EP disclosed
US-5747518-A EFFECTIVE AGAINST CHEMICAL RESISTANT FUNGI; NONPHYTOTOXIC TO CROPS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-05-05 US disclosed
EP-0737682-A1 Substituted thiophene derivative and agricultural and horticultural fungicide containing the same as active ingredient MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-10-16 EP disclosed