SCHEMBL4726973

SCHEMBL4726973

COCCN(C)c1cc(Nc2cc(OC)c(OC)c(OC)c2)ccc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.44
MAPK9 P45984 1/20 0.44
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
CSF1R P07333 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
MCL1 Q07820 1/20 0.40
HSP90AA1 P07900 3/20 0.39
HSP90AB1 P08238 3/20 0.39
SYK P43405 4/20 0.39
PTK2 Q05397 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
BRAF P15056 2/20 0.38
RAF1 P04049 1/20 0.38
ATM Q13315 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
SCHEMBL4783058 0.78 SRC (0.44) ALDH1A1PTK2
SCHEMBL4582739 0.76 MAPK9 (0.51) MAPK10MAPK9ALDH1A1MEN1KMT2A
SCHEMBL4580701 0.75 SYK (0.52) MAPK10MAPK9MEN1KMT2ACSF1R
SCHEMBL4581557 0.72 SYK (0.50) MAPK9ALDH1A1MEN1KMT2ACSF1R
SCHEMBL13450261 0.68 MAPK9 (0.57) MAPK10MAPK9MEN1KMT2AMAPK1
SCHEMBL4523815 0.67 MAPK9 (0.76) MAPK10MAPK9MEN1KMT2AMAPK1
SCHEMBL6154777 0.67 MAPK9 (0.59) MAPK10MAPK9MEN1KMT2ALMNA
SCHEMBL4580452 0.67 MAPK9 (0.45) MAPK10MAPK9ALDH1A1MEN1KMT2A
SCHEMBL4580323 0.67 MAPK9 (0.45) MAPK10MAPK9ALDH1A1MEN1KMT2A
SCHEMBL4582836 0.67 MAPK9 (0.48) MAPK10MAPK9HSP90AA1HSP90AB1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed