SCHEMBL9618217

SCHEMBL9618217

COC(=O)c1cc(N)cc(F)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.42
GLA P06280 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
CFTR P13569 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABL1 P00519 1/20 0.41
TSHR P16473 3/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 0.40
NQO2 P16083 2/20 0.39
HDAC1 Q13547 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
SCHEMBL2811429 0.87 GAA (0.53) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL18878112 0.81 CES2 (0.44) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL524175 0.81 GAA (0.49) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5629366 0.81 KDM4E (0.63) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL28104177 0.81 KDM4E (0.50) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3726674 0.81 SOS1 (0.47) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3723166 0.81 ABL1 (0.47) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3719012 0.81 GAA (0.45) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1271994 0.80 KDM4E (0.61) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL20703659 0.80 KDM4E (0.50) GAAKDM4EALDH1A1HSD17B10HPGD

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
JP-4295441-A None JP disclosed
JP-H04295441-A COMPOUND HAVING AROMATIC RING OTSUKA PHARMACEUT CO LTD 1992-10-20 JP disclosed