SCHEMBL15545530

SCHEMBL15545530

O=C(OCC1CCC1)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
JMJD6 Q6NYC1 1/20 0.50
MAPK1 P28482 1/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.49
GAA P10253 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
SCHEMBL27869486 0.97 LMNA (0.55) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL15544733 0.96 LMNA (0.54) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL11656225 0.94 LMNA (0.57) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL11410560 0.81 LMNA (0.54) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL25445958 0.81 CARM1 (0.58) LMNAKMT2ATDP1ALDH1A1MEN1
Thurfyl Nicotinate SCHEMBL1065912 0.80 GAA (0.50) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL13100536 0.80 LMNA (0.49) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL27603597 0.79 L3MBTL1 (0.61) LMNAKMT2ATDP1L3MBTL1ALDH1A1
Thurfyl Nicotinate SCHEMBL19580243 0.79 GAA (0.49) LMNAKMT2ATDP1L3MBTL1ALDH1A1
SCHEMBL22005207 0.78 CARM1 (0.58) LMNAKMT2ATDP1ALDH1A1MEN1

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