SCHEMBL27946277

SCHEMBL27946277

COc1cc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.41
EPHX2 P34913 1/20 0.40
SCN4A P35499 1/20 0.40
DYRK1A Q13627 2/20 0.39
NCS1 P62166 1/20 0.39
BACE1 P56817 2/20 0.39
ILK Q13418 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 1/20 0.37
CSNK1D P48730 2/20 0.37
HDAC6 Q9UBN7 1/20 0.35
PTPN5 P54829 1/20 0.35
AGPAT2 O15120 1/20 0.35
CFTR P13569 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
F2RL3 Q96RI0 1/20 0.35

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
SCHEMBL27946280 0.86 EPHX2 (0.44) EPHX2SCN4ADYRK1ANCS1BACE1
SCHEMBL5235708 0.80 DYRK1A (0.48) CLK1DYRK1ANCS1CSNK1DHDAC6
SCHEMBL147798 0.78 EPHX2 (0.42) CLK1EPHX2SCN4ADYRK1ABACE1
SCHEMBL5229957 0.77 DYRK1A (0.42) CLK1EPHX2SCN4ADYRK1ANCS1
SCHEMBL25807784 0.76 EPHX2 (0.41) CLK1EPHX2SCN4ADYRK1ABACE1
SCHEMBL18002994 0.76 EPHX2 (0.43) CLK1EPHX2SCN4ADYRK1ABACE1
SCHEMBL2895393 0.74 CLK1 (0.52) CLK1DYRK1ANCS1CSNK1DHDAC6
SCHEMBL17103440 0.74 CLK1 (0.46) CLK1EPHX2SCN4ADYRK1ANCS1
SCHEMBL29430298 0.74 CLK1 (0.52) CLK1DYRK1ANCS1CSNK1DHDAC6
SCHEMBL18936116 0.74 EPHX2 (0.42) CLK1EPHX2SCN4ADYRK1ABACE1

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
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed