SCHEMBL6174756

SCHEMBL6174756

COc1ccc(-c2cc(C(C)C3NC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.43
LMNA P02545 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MAPKAPK2 P49137 2/20 0.34
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
ATP1A3 P13637 1/20 0.34
ATP1B2 P14415 1/20 0.34
ATP1A2 P50993 1/20 0.34
ATP1B3 P54709 1/20 0.34

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
SCHEMBL6171105 0.93 LMNA (0.39) MAT2ALMNASCN10AL3MBTL1POLB
SCHEMBL6174848 0.92 LMNA (0.46) MAT2ALMNASCN10AL3MBTL1POLB
SCHEMBL6174200 0.89 IGF1R (0.40) MAT2ALMNAPDE2AFPR2
SCHEMBL6173224 0.88 LMNA (0.36) MAT2ALMNAKDM4EMAPT
SCHEMBL6174788 0.86 LMNA (0.38) LMNAL3MBTL1POLBMCHR1NPBWR1
SCHEMBL6175578 0.84 LMNA (0.42) LMNAL3MBTL1POLBATP1A1ATP1B1
SCHEMBL6173438 0.84 LMNA (0.42) LMNAL3MBTL1POLBKDM4EGAA
SCHEMBL6176756 0.84 LMNA (0.42) LMNAL3MBTL1POLBATP1A1ATP1B1
SCHEMBL6174656 0.83 LMNA (0.41) LMNAL3MBTL1POLBATP1A1ATP1B1
SCHEMBL6175660 0.82 LMNA (0.40) LMNAL3MBTL1POLBMCHR1NPBWR1

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed