SCHEMBL8900319

SCHEMBL8900319

COc1ccccc1Nc1nc(Nc2ccccc2)c2ccccc2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.67
SLC2A1 P11166 2/20 0.67
RAD52 P43351 2/20 0.67
USP2 O75604 2/20 0.67
TSHR P16473 1/20 0.67
HTT P42858 1/20 0.67
MAPT P10636 4/20 0.62
KDM4E B2RXH2 2/20 0.62
ABCG2 Q9UNQ0 2/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 2/20 0.62
LMNA P02545 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NPSR1 Q6W5P4 2/20 0.60
MAPK1 P28482 2/20 0.60
RECQL P46063 1/20 0.60
POLB P06746 1/20 0.59
MERTK Q12866 1/20 0.55

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
Hydrochloric Acid SCHEMBL8891019 0.99 SLC2A1 (0.70) NPY5RSLC2A1RAD52USP2TSHR
SCHEMBL2583768 0.82 RAD52 (0.71) SLC2A1RAD52USP2TSHRHTT
SCHEMBL9776834 0.82 SLC2A1 (0.97) NPY5RSLC2A1HTTMAPTKDM4E
SCHEMBL8899168 0.82 ABCG2 (0.72) NPY5RMAPTABCG2MEN1KMT2A
SCHEMBL3583927 0.81 ROCK2 (0.58) NPY5RRAD52USP2TSHRHTT
SCHEMBL10031967 0.81 RAD52 (0.98) SLC2A1RAD52USP2TSHRHTT
SCHEMBL16404475 0.81 NPY5R (0.70) NPY5RSLC2A1MAPTKDM4EABCG2
SCHEMBL2591063 0.81 NPY5R (1.00) NPY5RSLC2A1TSHRHTTABCG2
Hydrochloric Acid SCHEMBL9776848 0.81 SLC2A1 (1.00) NPY5RSLC2A1HTTMAPTKDM4E
SCHEMBL20149731 0.81 NPC1 (0.73) SLC2A1RAD52USP2TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO claimed