SCHEMBL3638353

SCHEMBL3638353

O=C(O)c1ccc(F)cc1NCCCF

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 7/20 0.44
CLCN2 P51788 1/20 0.43
KDM6B O15054 4/20 0.41
GRIK1 P39086 3/20 0.41
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLK1 P53350 1/20 0.38
GAA P10253 1/20 0.38
ASPH Q12797 1/20 0.37
RIOX2 Q8IUF8 1/20 0.37
KDM8 Q8N371 1/20 0.37
CISD1 Q9NZ45 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
SCHEMBL19689691 0.84 KMT2A (0.49) KDM4CCLCN2KDM6BGRIK1KEAP1
SCHEMBL3640375 0.82 KDM4E (0.49) KDM4CCLCN2KDM6BALDH1A1HPGD
SCHEMBL15638826 0.80 GRIK1 (0.46) KDM4CCLCN2KDM6BGRIK1KEAP1
SCHEMBL3513043 0.79 ADRA1A (0.37) KDM4EGAA
SCHEMBL13921285 0.79 CLCN2 (0.49) KDM4CCLCN2KDM6BGRIK1KEAP1
SCHEMBL9744548 0.79 CLCN2 (0.46) KDM4CCLCN2GRIK1KEAP1ALDH1A1
SCHEMBL27785055 0.77 ALDH1A1 (0.35) ALDH1A1HSD17B10KDM4EGAA
SCHEMBL9745145 0.75 HCAR3 (0.45) KDM4CCLCN2GRIK1KEAP1ALDH1A1
SCHEMBL1147582 0.75 KDM4C (0.56) KDM4CKDM6BALDH1A1HPGDHSD17B10
SCHEMBL15636197 0.74 KDM6B (0.54) KDM4CKDM6BKEAP1KDM4EPLK1

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-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 EP disclosed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 WO disclosed