SCHEMBL7206012

SCHEMBL7206012

CON(C(N)=O)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.46
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX5 P09917 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NCEH1 Q6PIU2 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RCE1 Q9Y256 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PGR P06401 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38

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
SCHEMBL28975617 0.85 SIGMAR1 (0.47) SIGMAR1GAAKDM4ENCEH1ALDH1A1
SCHEMBL7110585 0.83 SIGMAR1 (0.45) SIGMAR1GAAKDM4EALOX5L3MBTL1
SCHEMBL27532540 0.78 GAA (0.44) SIGMAR1GAAKDM4EALOX5F2
SCHEMBL1839015 0.77 SIGMAR1 (0.65) SIGMAR1GAAKDM4EALOX5NCEH1
SCHEMBL7314114 0.77 DHODH (0.42) SIGMAR1MEN1KMT2AHSD17B10NR4A1
SCHEMBL9547530 0.77 SIGMAR1 (0.51) SIGMAR1GAAKDM4EALOX5ALDH1A1
SCHEMBL6685262 0.77 SIGMAR1 (0.48) SIGMAR1GAAKDM4EALOX5ALDH1A1
SCHEMBL5320236 0.75 SIGMAR1 (0.47) SIGMAR1GAAKDM4EALOX5ALDH1A1
SCHEMBL3294924 0.75 SIGMAR1 (0.47) SIGMAR1GAAKDM4EALOX5MEN1
SCHEMBL28754971 0.75 SIGMAR1 (0.47) SIGMAR1GAAKDM4EALOX5NR4A1

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-2003068223-A1 ARYL UREAS WITH RAF KINASE AND ANGIOGENESIS INHIBITING ACTIVITY BAYER CORPORATION (US) 2003-08-21 WO disclosed