SCHEMBL7790952

SCHEMBL7790952

C=C(CC(C)C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
ATM Q13315 1/20 0.46
NTRK1 P04629 1/20 0.41
STING1 Q86WV6 1/20 0.41
GAA P10253 1/20 0.40
IRAK4 Q9NWZ3 4/20 0.40
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL7790947 0.82 LMNA (0.53) LMNAPOLBATMNTRK1STING1
SCHEMBL7790945 0.82 LMNA (0.53) LMNAPOLBATMNTRK1STING1
SCHEMBL9262427 0.81 LMNA (0.57) LMNAPOLBATMNTRK1STING1
SCHEMBL973052 0.81 ATM (0.69) LMNAPOLBATMSTING1GAA
SCHEMBL1259947 0.80 LMNA (0.53) LMNAPOLBATMNTRK1STING1
SCHEMBL3177328 0.80 LMNA (0.53) LMNAPOLBATMNTRK1STING1
SCHEMBL5357036 0.79 LMNA (0.60) LMNAPOLBATMNTRK1STING1
SCHEMBL12393702 0.79 LMNA (0.60) LMNAPOLBATMNTRK1STING1
SCHEMBL8784537 0.79 LMNA (0.50) LMNAPOLBIRAK4
SCHEMBL3765591 0.79 LMNA (0.55) LMNAPOLBATMNTRK1STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1338452-A Substituted phenylamine derivatives MITSUI CHEMICALS INC (JP) 2002-03-06 CN disclosed
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
CN-1067063-C Substituted carboxanilide derivatives and plant disease control agents containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 2001-06-13 CN 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
CN-1178791-A Substituted carboxanilide derivatives and plant disease control agents containing the same as active ingredient MITSUI TOATSU CHEMICALS (JP) 1998-04-15 CN 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