SCHEMBL6029148

SCHEMBL6029148

Cc1cn(C)cc1C(=O)Nc1ccccc1-c1ccnc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.43
BRAF P15056 5/20 0.41
ALDH1A1 P00352 3/20 0.41
NTRK1 P04629 2/20 0.41
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
DHODH Q02127 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
RAF1 P04049 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL13848814 0.77 NTRK1 (0.53) ALDH1A1NTRK1LMNATDP1KDM4E
SCHEMBL5735479 0.72 ALDH1A1 (0.51) ALDH1A1NTRK1LMNAIRAK4KDM4E
SCHEMBL9979656 0.72 HPGD (0.59) ALDH1A1LMNATSHRGAAKDM4E
SCHEMBL14578334 0.69 ALDH1A1 (0.43) ALDH1A1LMNATDP1KDM4EMAPT
SCHEMBL14578376 0.69 ALDH1A1 (0.43) ALDH1A1NTRK1LMNATSHRTDP1
SCHEMBL9979540 0.69 ALDH1A1 (0.43) ALDH1A1LMNATDP1KDM4EMAPT
SCHEMBL5348058 0.69 ATM (0.63) ALDH1A1LMNATDP1KDM4EMAPT
SCHEMBL5340269 0.68 LMNA (0.43) ALDH1A1LMNATSHRTDP1GAA
SCHEMBL28169836 0.68 BCAT2 (0.50)
Water SCHEMBL27534804 0.68 LMNA (0.43) ALDH1A1LMNATSHRGAAKDM4E

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-1656020-A2 PYRIDINYLANILIDES Bayer CropScience AG (DE) 2006-05-17 EP disclosed
WO-2005004606-A2 PYRIDINYLANILIDES BAYER CROPSCIENCE AG (DE) 2005-01-20 WO disclosed