SCHEMBL7790957

SCHEMBL7790957

CCC(C)CCc1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
DHODH Q02127 3/20 0.43
ATM Q13315 1/20 0.42
NTRK1 P04629 1/20 0.40
STING1 Q86WV6 1/20 0.40
IRAK4 Q9NWZ3 5/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1259947 0.91 LMNA (0.53) POLBLMNADHODHATMNTRK1
SCHEMBL7786604 0.86 LMNA (0.57) POLBLMNANTRK1STING1GAA
SCHEMBL3764560 0.82 LMNA (0.58) POLBLMNAATMNTRK1STING1
SCHEMBL3765591 0.81 LMNA (0.55) POLBLMNADHODHATMNTRK1
SCHEMBL9261509 0.81 LMNA (0.54) POLBLMNADHODHATMNTRK1
SCHEMBL27737488 0.80 POLB (0.55) POLBLMNADHODHATMNTRK1
SCHEMBL9262427 0.79 LMNA (0.57) POLBLMNADHODHATMNTRK1
SCHEMBL13057271 0.79 LMNA (0.49) POLBLMNADHODHATMNTRK1
SCHEMBL5357036 0.78 LMNA (0.60) POLBLMNAATMNTRK1STING1
SCHEMBL12393702 0.78 LMNA (0.60) POLBLMNAATMNTRK1STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824099-B1 Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI CHEMICALS INC (JP) 2001-11-07 EP disclosed
US-5965774-A CONTROLLING PLANT DISEASES AGAINST BOTRYTIS CINEREA, POWDERY MILDEW, PYRICULARIA ORYZAE OF RICE PLANT MITSUI CHEMICALS, INC. (JP) 1999-10-12 US disclosed
US-5914344-A Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI CHEMICALS, INC. (JP) 1999-06-22 US disclosed
EP-0824099-A1 Substituted carboxanilide derivative and plant disease control agent comprising same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-02-18 EP disclosed