SCHEMBL14474155

SCHEMBL14474155

Bc1cc(C(=O)OC)c(N)cc1F

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
CFTR P13569 7/20 0.49
ALDH1A1 P00352 5/20 0.49
GAA P10253 5/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 2/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
ATM Q13315 1/20 0.49
ABL1 P00519 1/20 0.47
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 1/20 0.42
IKBKB O14920 1/20 0.37
KMT2A Q03164 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
SCHEMBL195591 0.85 KDM4E (0.61) KDM4ECFTRALDH1A1GAAHSD17B10
SCHEMBL195076 0.83 GAA (0.57) KDM4ECFTRALDH1A1GAAHSD17B10
SCHEMBL12303359 0.81 KDM4E (0.56) KDM4ECFTRALDH1A1GAAHSD17B10
SCHEMBL12438188 0.81 CA12 (0.49) KDM4EALDH1A1GAAHSD17B10MAPT
SCHEMBL376859 0.81 KDM4E (0.56) KDM4ECFTRALDH1A1GAAHSD17B10
SCHEMBL28149249 0.81 KDM4E (0.56) KDM4ECFTRALDH1A1GAAHSD17B10
SCHEMBL20095617 0.80 ALDH1A1 (0.39) KDM4ECFTRALDH1A1GAAHSD17B10
SCHEMBL2900514 0.80 KDM4E (0.59) KDM4ECFTRALDH1A1GAAHSD17B10
SCHEMBL19554228 0.79 ABL1 (0.56) KDM4ECFTRALDH1A1GAAHSD17B10
SCHEMBL3424917 0.79 KDM4E (0.74) KDM4ECFTRALDH1A1GAAHSD17B10

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-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 WO disclosed