SCHEMBL15544944

SCHEMBL15544944

O=C(OCCCF)c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.73
LMNA P02545 5/20 0.69
KMT2A Q03164 5/20 0.57
TDP1 Q9NUW8 3/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
HPGD P15428 1/20 0.57
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 2/20 0.52
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL28836186 0.90 L3MBTL1 (0.68) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL25009811 0.90 L3MBTL1 (0.82) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL21243071 0.90 LMNA (0.82) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL7282911 0.88 L3MBTL1 (0.73) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL30556174 0.87 L3MBTL1 (0.76) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL25009812 0.87 L3MBTL1 (0.76) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL31161094 0.86 L3MBTL1 (0.75) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL7285050 0.86 L3MBTL1 (0.75) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL7285060 0.86 L3MBTL1 (0.75) L3MBTL1LMNAKMT2ATDP1ALDH1A1
SCHEMBL551716 0.84 L3MBTL1 (1.00) L3MBTL1LMNAKMT2ATDP1ALDH1A1

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
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-107108638-A Piperidyl PyrazolopyrimidinonecGMP and application thereof 拜耳制药股份公司 2017-08-29 CN disclosed