SCHEMBL1746872

SCHEMBL1746872

C[N]c1cccnc1NCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
MAPK1 P28482 2/20 0.43
TNF P01375 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
GAS6 Q14393 1/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
FDPS P14324 1/20 0.34

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
SCHEMBL1744463 0.85 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL1744803 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1746367 0.81 GRM5 (0.41) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL1746870 0.81 CYP2C19 (0.51) HSD17B10POLBGAA
SCHEMBL1746375 0.81 UTS2R (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1745114 0.81 UTS2R (0.46) KDM4EALDH1A1HSD17B10LMNAPOLB
SCHEMBL7080994 0.77 FDPS (0.54) KDM4EMAPK1TNFALDH1A1HPGD
SCHEMBL1979184 0.75 KDM4E (0.48) KDM4EMAPK1TNFALDH1A1HPGD
SCHEMBL23030174 0.75 KDM4E (0.44) KDM4EMAPK1TNFALDH1A1HPGD
SCHEMBL1746875 0.75 KDM4E (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385042-B1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-11-25 EP 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