SCHEMBL2855098

SCHEMBL2855098

Cc1cc(Nc2cccc(Cl)c2C)ccc1Cc1cc(-n2cc(CCO)nn2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 8/20 0.47
NOTUM Q6P988 6/20 0.43
KCNH2 Q12809 2/20 0.40
P2RX7 Q99572 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
F9 P00740 1/20 0.37
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 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
SCHEMBL2852333 0.84 DDX3X (0.50) DDX3XNOTUMKCNH2P2RX7F9
SCHEMBL2854482 0.76 DDX3X (0.49) DDX3XNOTUMKCNH2F9
SCHEMBL2857939 0.74 DDX3X (0.58) DDX3XF9
SCHEMBL2855135 0.72 DDX3X (0.47) DDX3XNOTUMKCNH2CA1CA2
SCHEMBL2850881 0.71 DDX3X (0.49) DDX3XF9
SCHEMBL2855133 0.71 F9 (0.47) DDX3XNOTUMKCNH2F9
SCHEMBL2860025 0.71 F9 (0.47) DDX3XNOTUMKCNH2F9
SCHEMBL2852013 0.71 MAPK13 (0.49) DDX3XNOTUMKCNH2F9
SCHEMBL2854515 0.70 DDX3X (0.46) DDX3XNOTUMKCNH2F9
SCHEMBL2852561 0.70 NOTUM (0.48) DDX3XNOTUMKCNH2CA1CA2

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-1828148-B1 TRIAZOLE SUBSTITUTED AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-01-20 EP disclosed