SCHEMBL8813745

SCHEMBL8813745

COc1ccc(-n2c(=O)[nH]c(CC(F)(F)F)c(C)c2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NTRK1 P04629 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
SCHEMBL9221707 0.80 ATM (0.52) ATMKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7558670 0.71 KMT2A (0.51) ATMKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL14123260 0.69 ATM (0.63) ATMKMT2AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL7556878 0.68 ALDH1A1 (0.55) ATMKMT2AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL6973438 0.66 HSD17B10 (0.66) ATMKMT2AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL9472940 0.65 ATM (0.57) ATMKMT2AALDH1A1LMNAMAPT
SCHEMBL10576495 0.64 NTRK1 (0.49) ATMKMT2AHSD17B10ALDH1A1LMNA
SCHEMBL11156404 0.64 ATM (0.49) ATMKMT2AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL3119719 0.63 ATM (0.48) ATMKMT2AHSD17B10ALDH1A1LMNA
SCHEMBL5126580 0.63 KDM4E (0.52) ATMKMT2AHSD17B10SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997008953-A1 HERBICIDAL 2-[(4-HETEROCYCLIC-PHENOXYMETHYL)PHENOXY]-ALKANOATES FMC CORPORATION (US) 1997-03-13 WO disclosed