SCHEMBL15545574

SCHEMBL15545574

O=C(OCc1ccccc1F)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.65
TDP1 Q9NUW8 4/20 0.65
KMT2A Q03164 4/20 0.65
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
TSHR P16473 3/20 0.56
MAPK1 P28482 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.54
NPC1 O15118 3/20 0.54
POLB P06746 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 3/20 0.54
GLA P06280 1/20 0.53
HTT P42858 1/20 0.52
ATM Q13315 1/20 0.50
SGMS2 Q8NHU3 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 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 0.89 LMNA (0.58) LMNATDP1KMT2AALDH1A1KDM4E
SCHEMBL27997538 0.85 KMT2A (0.57) LMNATDP1KMT2AALDH1A1KDM4E
SCHEMBL27997320 0.85 KMT2A (0.57) LMNATDP1KMT2AALDH1A1KDM4E
SCHEMBL15544859 0.84 ALDH1A1 (0.70) LMNATDP1KMT2AALDH1A1KDM4E
SCHEMBL15545464 0.84 LMNA (0.71) LMNATDP1KMT2AALDH1A1KDM4E
SCHEMBL14937502 0.83 ALDH1A1 (0.72) LMNATDP1KMT2AALDH1A1KDM4E
SCHEMBL14937718 0.83 TDP1 (0.65) LMNATDP1KMT2AALDH1A1KDM4E
SCHEMBL27746393 0.83 LMNA (0.65) LMNATDP1KMT2AALDH1A1KDM4E
Benzyl Nicotinate SCHEMBL24600 0.79 LMNA (1.00) LMNATDP1KMT2AALDH1A1KDM4E
Benzyl Nicotinate SCHEMBL29394048 0.79 LMNA (1.00) LMNATDP1KMT2AALDH1A1KDM4E

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 3 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