SCHEMBL9017596

SCHEMBL9017596

CCCc1cc(C)c(Cl)c(C(N)=O)c1N

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 9/20 0.40
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
OGG1 O15527 1/20 0.32
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
CHUK O15111 1/20 0.31
PDGFRA P16234 1/20 0.31
EPHA3 P29320 1/20 0.31

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
SCHEMBL9017601 0.89 POLB (0.42) IKBKBPOLBCYP1A2ALDH1A1GAA
SCHEMBL9017621 0.87 IKBKB (0.39) IKBKBPOLBPTPN1PTPN11CHUK
SCHEMBL9017628 0.75 POLB (0.37) POLBALDH1A1GAAHPGDNPSR1
SCHEMBL8732701 0.74 PRKCI (0.39) IKBKBALDH1A1PTPN1PTPN11
SCHEMBL23073670 0.71 PRKCI (0.39) IKBKBPOLBALDH1A1GAAPTPN1
SCHEMBL9017615 0.70 SIRT1 (0.35) IKBKBPOLBCYP1A2ALDH1A1GAA
SCHEMBL2461639 0.67 ALDH1A1 (0.39) IKBKBPOLBCYP1A2ALDH1A1MAPT
SCHEMBL4593069 0.67 LMNA (0.38) IKBKBPOLBCYP1A2ALDH1A1GAA
SCHEMBL3801326 0.66 SKP2 (0.37) IKBKBPOLBCYP1A2ALDH1A1MAPT
SCHEMBL3943078 0.65 PPARG (0.43) IKBKBPOLBPTPN1PTPN11

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