SCHEMBL15544859

SCHEMBL15544859

O=C(OCc1c(F)cccc1F)c1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
KDM4E B2RXH2 2/20 0.70
LMNA P02545 5/20 0.62
KMT2A Q03164 5/20 0.62
TDP1 Q9NUW8 4/20 0.62
MAPK1 P28482 1/20 0.57
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ATM Q13315 1/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.49
MMP1 P03956 2/20 0.49
MMP2 P08253 2/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49

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
SCHEMBL15544756 0.85 LMNA (0.58) ALDH1A1KDM4ELMNAKMT2ATDP1
SCHEMBL15545574 0.84 LMNA (0.65) ALDH1A1KDM4ELMNAKMT2ATDP1
SCHEMBL27997535 0.82 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAKMT2ATDP1
SCHEMBL22946269 0.80 KMT2A (0.88) ALDH1A1KDM4ELMNAKMT2ATDP1
SCHEMBL290287 0.78 TDP1 (0.85) ALDH1A1KDM4ELMNAKMT2ATDP1
SCHEMBL27997320 0.78 KMT2A (0.57) ALDH1A1KDM4ELMNAKMT2ATDP1
SCHEMBL27997538 0.78 KMT2A (0.57) ALDH1A1KDM4ELMNAKMT2ATDP1
SCHEMBL17294235 0.78 KMT2A (0.64) ALDH1A1KDM4ELMNAKMT2ATDP1
SCHEMBL25009812 0.77 L3MBTL1 (0.76) ALDH1A1KDM4ELMNAKMT2ATDP1
SCHEMBL30556174 0.77 L3MBTL1 (0.76) ALDH1A1KDM4ELMNAKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2885307-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2015-06-24 EP claimed
CN-104428305-A 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin d2 receptor modulators ACTELION PHARMACEUTICALS LTD 2015-03-18 CN claimed
WO-2014006585-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-09 WO claimed
CN-104428305-A 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin d2 receptor modulators ACTELION PHARMACEUTICALS LTD 2015-03-18 CN disclosed