SCHEMBL5229957

SCHEMBL5229957

O=C(O)Oc1cc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
USP2 O75604 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARA Q07869 1/20 0.39
CHRNA7 P36544 1/20 0.39
HTR3A P46098 1/20 0.39
CLK1 P49759 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CES2 O00748 2/20 0.37
CSNK1D P48730 2/20 0.36
EPHX2 P34913 1/20 0.36
SCN4A P35499 1/20 0.36

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
SCHEMBL5235708 0.84 DYRK1A (0.48) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5234254 0.79 KMT2A (0.39) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL153428 0.78 BCL2L1 (0.54) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27946277 0.77 CLK1 (0.41) DYRK1AHDAC6CLK1CSNK1DEPHX2
SCHEMBL16712270 0.76 CLK1 (0.38) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5233617 0.76 CYP2A6 (0.53) DYRK1AHDAC6CHRNA7HTR3ACLK1
SCHEMBL5163126 0.76 LMNA (0.50) DYRK1APIM1CYP2C19PPARACLK1
Isopropylamine SCHEMBL13735900 0.74 BCL2L1 (0.46) DYRK1AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL30568673 0.73 PTPN2 (0.49) DYRK1APIM1PIM2HDAC6CHRNA7
SCHEMBL3879053 0.73 CHRNA7 (0.47) DYRK1APIM1PIM2HDAC6PPARA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 WO disclosed