SCHEMBL2468066

SCHEMBL2468066

O=C(O)N(CCCN1CCOCC1)c1cccc(Cn2nc(-c3nccs3)ccc2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.46
▸ CASR P41180 3/20 0.40
▸ TSHR P16473 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ USP2 O75604 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TRPV4 Q9HBA0 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL2673281 0.88 MET (0.47) METTSHRKDM4EUSP2SMN1; SMN2
SCHEMBL2470648 0.84 MET (0.45) MET
SCHEMBL2466850 0.84 MET (0.52) METTSHRKDM4EUSP2SMN1; SMN2
SCHEMBL2467442 0.84 MET (0.56) METTSHRKDM4EMAPK1USP2
SCHEMBL2468002 0.84 MET (0.65) METTSHR
SCHEMBL2471696 0.84 MET (0.51) METTSHRKDM4EMAPK1USP2
SCHEMBL2466179 0.83 MET (0.56) METTSHRKDM4EMAPK1USP2
SCHEMBL2470606 0.83 MET (0.53) METTSHRKDM4EMAPK1USP2
SCHEMBL2472319 0.83 MET (0.51) METTSHRKDM4EMAPK1USP2
SCHEMBL2470250 0.81 MET (0.63) METTSHR

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
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