SCHEMBL13938147

SCHEMBL13938147

N#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.62
MAPT P10636 3/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.55
ADORA2A P29274 3/20 0.54
ADORA3 P0DMS8 2/20 0.54
ADORA2B P29275 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALOX15 P16050 3/20 0.53
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
PIM1 P11309 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RET P07949 2/20 0.49

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
SCHEMBL245593 0.91 ADORA1 (0.64) ADORA1MAPTNPSR1RXFP1ALDH1A1
SCHEMBL244863 0.87 ADORA1 (0.61) ADORA1MAPTNPSR1RXFP1ALDH1A1
SCHEMBL15286658 0.84 ADORA1 (0.64) ADORA1MAPTNPSR1RXFP1ALDH1A1
SCHEMBL3333404 0.84 MAPT (0.81) ADORA1MAPTNPSR1RXFP1ALDH1A1
SCHEMBL28185531 0.83 KDM4E (0.73) ADORA1MAPTNPSR1RXFP1ALDH1A1
SCHEMBL241556 0.83 MAPT (0.59) ADORA1MAPTNPSR1RXFP1ALDH1A1
SCHEMBL6462984 0.82 MAPT (0.59) ADORA1MAPTNPSR1RXFP1ALDH1A1
SCHEMBL3556602 0.82 ADORA2B (0.68) ADORA1MAPTNPSR1RXFP1ALDH1A1
SCHEMBL3597566 0.81 RET (0.70) ADORA1MAPTNPSR1ALDH1A1KDM4E
SCHEMBL4034485 0.81 MAPT (0.63) ADORA1MAPTNPSR1RXFP1ALDH1A1

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-2009015776-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed