SCHEMBL2466580

SCHEMBL2466580

O=C(O)N(CCN1CCCC1)c1cccc(Cn2nc(-c3ccc(F)c(F)c3)ccc2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.44
HDAC1 Q13547 1/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
CTSS P25774 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2472113 0.95 MET (0.44) METHDAC1TSHRUSP2KDM4E
SCHEMBL2466028 0.93 MET (0.45) METTSHRUSP2MEN1KMT2A
SCHEMBL2464470 0.93 MET (0.43) METTSHRUSP2MEN1KMT2A
SCHEMBL2469403 0.93 MET (0.51) METTSHRUSP2KDM4EMEN1
SCHEMBL2468076 0.90 MET (0.52) METKDM4EHTT
SCHEMBL2469433 0.89 MET (0.44) METTSHRUSP2MEN1KMT2A
SCHEMBL2470373 0.88 MET (0.43) METTSHRUSP2MEN1KMT2A
SCHEMBL2470606 0.88 MET (0.53) METTSHRUSP2KDM4EALDH1A1
SCHEMBL2496053 0.88 MET (0.44) METHDAC1MEN1KMT2APDE4A
SCHEMBL2466209 0.87 MET (0.46) METHDAC1TSHRUSP2KDM4E

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
US-8173653-B2 Pyridiazinone derivatives for the treatment of tumours MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2012-05-08 US claimed
EP-1960370-B1 PYRIDIAZINONE DERIVATIVES FOR TUMOUR TREATMENT MERCK PATENT GMBH (DE) 2011-10-05 EP claimed