SCHEMBL1746378

SCHEMBL1746378

C[N]c1cccnc1NCc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 7/20 0.48
HTT P42858 4/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
BLM P54132 1/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HIF1A Q16665 2/20 0.46
RAB9A P51151 1/20 0.46
ALOX15 P16050 3/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL1746380 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL11020702 0.78 SMN1; SMN2 (0.54) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL317828 0.75 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL1746367 0.75 GRM5 (0.41) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL9387888 0.72 PKM (0.61) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL1744463 0.72 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL1746872 0.71 KDM4E (0.43) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL1744803 0.71 KDM4E (0.41) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL9379186 0.71 SMN1; SMN2 (0.63) ALDH1A1HSD17B10KDM4EHPGDMAPT
SCHEMBL10966604 0.69 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-101405002-A Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2009-04-08 CN disclosed