SCHEMBL7790931

SCHEMBL7790931

CCC(C)c1ccccc1NC(=O)c1cn(C)nc1C

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.64
NAMPT P43490 1/20 0.50
PKM P14618 1/20 0.50
GAA P10253 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 3/20 0.43
ALPL P05186 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
NTRK1 P04629 1/20 0.41

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
SCHEMBL272573 0.89 ATM (0.62) ATMNAMPTPKMGAASMN1; SMN2
SCHEMBL273097 0.87 ATM (0.60) ATMNAMPTPKMGAASMN1; SMN2
SCHEMBL13057299 0.85 ATM (0.58) ATMNAMPTPKMGAASMN1; SMN2
SCHEMBL9261509 0.84 LMNA (0.54) ATMPKMGAAMAPTMAPK1
SCHEMBL12673228 0.78 PKM (0.50) ATMPKMSMN1; SMN2RAB9AMAPT
SCHEMBL10238203 0.77 ATM (0.47) ATMNAMPTPKMGAASMN1; SMN2
SCHEMBL14280278 0.77 PKM (0.53) PKMGAASMN1; SMN2MAPTMAPK1
SCHEMBL27716559 0.77 ATM (0.65) ATMNAMPTGAASMN1; SMN2RAB9A
SCHEMBL13645750 0.76 ATM (0.46) ATMNAMPTPKMGAAMAPT
SCHEMBL13304549 0.76 ATM (0.46) ATMGAASMN1; SMN2

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