SCHEMBL9017601

SCHEMBL9017601

CCc1cc(C)c(Cl)c(C(N)=O)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 2/20 0.35
CYP1A2 P05177 2/20 0.35
OGG1 O15527 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MCL1 Q07820 1/20 0.33
CYP3A4 P08684 2/20 0.32
CHRM1 P11229 1/20 0.32
ALOX15 P16050 1/20 0.32
MAOA P21397 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL9017596 0.89 IKBKB (0.40) POLBALDH1A1MAPTGAACYP1A2
SCHEMBL9017628 0.86 POLB (0.37) POLBALDH1A1GAAHTTHPGD
SCHEMBL9017621 0.75 IKBKB (0.39) POLBHTTIKBKB
SCHEMBL27496979 0.74 ALDH1A1 (0.39) POLBALDH1A1MAPTGAAHTT
SCHEMBL8932346 0.71 SLC6A2 (0.36) POLBALDH1A1KMT2ATSHR
SCHEMBL4951732 0.69 MEN1 (0.39) POLBALDH1A1MAPTGAACYP1A2
SCHEMBL29217222 0.69 MEN1 (0.42) POLBALDH1A1MAPTGAACYP1A2
SCHEMBL27044664 0.69 ALDH1A1 (0.36) POLBALDH1A1MAPTGAAHTT
SCHEMBL9017622 0.69 POLB (0.35) POLBALDH1A1GAAHTTCYP1A2
SCHEMBL580070 0.67 POLB (0.39) POLBALDH1A1MAPTCYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749416-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1996-12-27 EP disclosed
WO-1995024380-A1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1995-09-14 WO disclosed