SCHEMBL13891766

SCHEMBL13891766

COc1ccccc1-c1nc(N2CCS(=O)(=O)CC2)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
AGER Q15109 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
TACR1 P25103 6/20 0.35
PIK3R1 P27986 2/20 0.35
MTOR P42345 2/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL5231442 0.86 ALDH1A1 (0.39) KDM4EMAPTL3MBTL1AGERLMNA
SCHEMBL13891702 0.83 KDM4E (0.41) KDM4EMAPTL3MBTL1AGERLMNA
SCHEMBL13891687 0.83 PIK3R1 (0.41) KDM4EMAPTL3MBTL1AGERLMNA
SCHEMBL13891717 0.81 ADRB2 (0.43) KDM4EMAPTL3MBTL1AGERLMNA
SCHEMBL13891719 0.81 TACR1 (0.48) TACR1ROCK2ROCK1CASP1CASP5
SCHEMBL13891764 0.80 PIK3R1 (0.38) KDM4EMAPTL3MBTL1AGERLMNA
SCHEMBL5530937 0.80 CETP (0.39) KDM4EMAPTL3MBTL1AGERLMNA
SCHEMBL29373661 0.79 TACR1 (0.44) TSHRHPGDTACR1PIK3R1MTOR
SCHEMBL6508415 0.79 TACR1 (0.44) TSHRHPGDTACR1PIK3R1MTOR
SCHEMBL13891704 0.78 PIK3R1 (0.46) MAPTL3MBTL1LMNAMEN1TSHR

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-1473295-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2009-04-01 EP disclosed