SCHEMBL13635291

SCHEMBL13635291

COC(=O)c1ccc(-n2ccc(CCc3ccccc3)c(Br)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
KDM4E B2RXH2 2/20 0.47
MGLL Q99685 1/20 0.44
HSD17B10 Q99714 2/20 0.43
IDH1 O75874 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
CKS1B P61024 1/20 0.42
SKP2 Q13309 1/20 0.42

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
SCHEMBL4374541 0.81 MAPK14 (0.52) KDM4EHSD17B10CA1CA2ALDH1A1
SCHEMBL8162236 0.74 ALDH1A1 (0.60) CCR6HKDC1MGLLHSD17B10IDH1
SCHEMBL1928912 0.74 TSHR (0.67) CCR6HKDC1MGLLHSD17B10IDH1
SCHEMBL3524455 0.73 FGFR1 (0.50) KDM4EHSD17B10CA1CA2ALDH1A1
SCHEMBL6261633 0.70 CYP4A11 (0.60) CCR6HKDC1MGLLHSD17B10IDH1
SCHEMBL6377479 0.69 FGFR1 (0.55) KDM4EHSD17B10CA1CA2ALDH1A1
SCHEMBL4381612 0.68 MAPK14 (0.53)
SCHEMBL6255832 0.68 HSP90AA1 (0.52) CCR6HKDC1KDM4EMGLLHSD17B10
SCHEMBL27989333 0.68 LMNA (0.51) KDM4ECA1CA2ALDH1A1SMN1; SMN2
SCHEMBL70185 0.68 CYP4A11 (0.75) CCR6HKDC1KDM4EMGLLHSD17B10

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
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed