SCHEMBL1746875

SCHEMBL1746875

CNc1cccnc1NCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 1/20 0.44
FLT3 P36888 2/20 0.42
TNF P01375 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.40
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
GLA P06280 1/20 0.38
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
IDO1 P14902 1/20 0.36
RRM2 P31350 1/20 0.36
NCOA1 Q15788 1/20 0.36

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
SCHEMBL1979184 0.87 KDM4E (0.48) KDM4EMAPK1FLT3TNFALDH1A1
SCHEMBL1744464 0.84 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL1744805 0.83 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1746368 0.80 GRM5 (0.49) KDM4EALDH1A1HPGDHSD17B10IDO1
SCHEMBL1745116 0.80 UTS2R (0.47) KDM4EALDH1A1HSD17B10LMNAHTT
SCHEMBL1746874 0.80 CYP2C19 (0.53) RAD52
SCHEMBL14715661 0.80 GRM5 (0.38) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1746376 0.80 UTS2R (0.47) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL23133100 0.79 UTS2R (0.40) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL7080994 0.79 FDPS (0.54) KDM4EMAPK1TNFALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101495464-B Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-03-05 CN claimed
CN-103396398-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-11-20 CN claimed
CN-101495464-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 CN claimed
CN-101405002-A Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-08 CN claimed
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 EP disclosed
CN-101495464-B Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2014-03-05 CN disclosed
CN-103396398-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV 2013-11-20 CN disclosed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP disclosed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP disclosed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US disclosed
CN-101495464-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-07-29 CN disclosed
CN-101405002-A Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-08 CN disclosed