SCHEMBL16199473

SCHEMBL16199473

CCn1c(=O)[nH]c(=O)c2c1nc(C#Cc1ccc(OC)c(O)c1)n2C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 8/20 0.44
KMT2A Q03164 8/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
XBP1 P17861 1/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ADORA2A P29274 1/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL2537017 0.91 KDM4E (0.47) MAPTALOX12MAPK1MEN1KMT2A
SCHEMBL16199485 0.79 MAP3K11 (0.50) MAPTALOX12MAPK1MEN1KMT2A
SCHEMBL12233436 0.75 MEN1 (0.38) MAPTALOX12MAPK1MEN1KMT2A
SCHEMBL12233267 0.75 ALDH1A1 (0.44) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL4637336 0.74 ADORA2A (0.60) ADORA2A
SCHEMBL8190562 0.74 ALDH1A1 (0.67) MAPTALOX12MAPK1MEN1KMT2A
SCHEMBL12233273 0.72 ALDH1A1 (0.40) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL12233269 0.71 ALDH1A1 (0.45) MAPTMAPK1MEN1KMT2AALDH1A1
SCHEMBL4637377 0.70 HPGD (0.40) MAPTALOX12MAPK1MEN1KMT2A
SCHEMBL2536378 0.70 ADORA2A (0.41) MAPTMEN1KMT2ARXFP1ALDH1A1

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
EP-2097415-B1 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS UNIV BONN (DE) 2014-10-29 EP disclosed