SCHEMBL17294374

SCHEMBL17294374

O=C(Cl)c1ccncc1C(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 11/20 0.39
KDM6B O15054 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
KDM4D Q6B0I6 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4A O75164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 1/20 0.39
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC25B P30305 1/20 0.32
P2RX1 P51575 1/20 0.31

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
SCHEMBL17294252 0.83 KDM4C (0.53) KDM4CKDM6BALDH1A1KDM4EKDM4D
SCHEMBL16344094 0.81 KDM4C (0.40) KDM4CKDM6BALDH1A1KDM4EKDM4D
SCHEMBL16094232 0.81 TDP1 (0.50) KDM4CKDM6BALDH1A1KDM4EKDM4D
SCHEMBL2265522 0.76 KDM4C (0.47) KDM4CKDM6BALDH1A1KDM4EKDM4D
SCHEMBL724581 0.75 ALDH1A1 (0.52) KDM4CKDM6BALDH1A1KDM4EKDM4D
SCHEMBL22810576 0.72 P2RX1 (0.44) KDM4CKDM6BALDH1A1KDM4EKDM4D
SCHEMBL465753 0.72 ALDH1A1 (0.54) ALDH1A1TDP1MAPTKMT2AGAA
SCHEMBL1027774 0.72 GAA (0.45) KDM4CKDM6BALDH1A1KDM4EKDM4D
SCHEMBL3932429 0.72 KDM4C (0.48) KDM4CKDM6BALDH1A1KDM4EKDM4D
SCHEMBL2579028 0.71 ALDH1A1 (0.52) KDM4CKDM6BALDH1A1KDM4EKDM4D

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-3148975-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-04-05 EP disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed