SCHEMBL1746370

SCHEMBL1746370

C[N]c1cccnc1N=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 2/20 0.37
XBP1 P17861 1/20 0.37
RAB9A P51151 1/20 0.37
PLAU P00749 2/20 0.36
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 3/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 1/20 0.34
APLNR P35414 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BLM P54132 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL16310738 0.85 KDM4E (0.44) ALDH1A1KDM4EL3MBTL1MAPTTDP1
SCHEMBL6404182 0.74
Hydrochloric Acid SCHEMBL11705118 0.72 PLAU (0.55) ALDH1A1KDM4EL3MBTL1MAPTTDP1
SCHEMBL10660840 0.71
SCHEMBL2608518 0.70
SCHEMBL2605755 0.70
SCHEMBL14037823 0.70
SCHEMBL21189180 0.70
SCHEMBL3283129 0.70
SCHEMBL28663495 0.70 PLAU (0.38) ALDH1A1KDM4EL3MBTL1MAPTTDP1

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