SCHEMBL15544756

SCHEMBL15544756

O=C(OCc1cccc(F)c1F)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
KMT2A Q03164 5/20 0.58
TDP1 Q9NUW8 4/20 0.58
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 2/20 0.58
MAPK1 P28482 1/20 0.53
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 1/20 0.48
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
AGTR1 P30556 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL15545574 0.89 LMNA (0.65) LMNAKMT2ATDP1ALDH1A1KDM4E
SCHEMBL15544859 0.85 ALDH1A1 (0.70) LMNAKMT2ATDP1ALDH1A1KDM4E
SCHEMBL27997538 0.80 KMT2A (0.57) LMNAKMT2ATDP1ALDH1A1KDM4E
SCHEMBL27997320 0.80 KMT2A (0.57) LMNAKMT2ATDP1ALDH1A1KDM4E
SCHEMBL15545464 0.79 LMNA (0.71) LMNAKMT2ATDP1ALDH1A1KDM4E
SCHEMBL27997319 0.78 KDM4E (0.61) LMNAKMT2ATDP1ALDH1A1KDM4E
SCHEMBL15544609 0.78 ALDH1A1 (0.73) LMNAKMT2ATDP1ALDH1A1KDM4E
SCHEMBL14937718 0.78 TDP1 (0.65) LMNAKMT2ATDP1ALDH1A1KDM4E
SCHEMBL14937502 0.78 ALDH1A1 (0.72) LMNAKMT2ATDP1ALDH1A1KDM4E
SCHEMBL27746393 0.78 LMNA (0.65) LMNAKMT2ATDP1ALDH1A1KDM4E

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