SCHEMBL4566221

SCHEMBL4566221

CC[C@H](C=O)c1ccnn(Cc2ccccc2C(C)(C)C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 8/20 0.37
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GPR35 Q9HC97 1/20 0.34
ATM Q13315 1/20 0.33
CNR2 P34972 1/20 0.31

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
SCHEMBL27751920 0.84 MEN1 (0.51) NPBWR1MEN1POLBRAB9ABLM
SCHEMBL27772593 0.80 NR2E3 (0.44) NPBWR1MEN1KMT2ASMN1; SMN2NPSR1
SCHEMBL4253480 0.79 ALDH1A1 (0.40) NPBWR1MEN1POLBRAB9ABLM
SCHEMBL8224521 0.79 NPBWR1 (0.35) NPBWR1MEN1POLBRAB9ABLM
SCHEMBL27751740 0.72 CYP2C19 (0.44) NPBWR1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL27751967 0.72 MEN1 (0.43) MEN1POLBKMT2ANPSR1
SCHEMBL13608157 0.70 CASP3 (0.39)
SCHEMBL4254526 0.70 CASP3 (0.39)
SCHEMBL4260200 0.69 NPBWR1 (0.48) NPBWR1MEN1POLBKMT2ANPSR1
SCHEMBL4255996 0.69 CACNA1B (0.35) NPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
EP-2046757-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-04-15 EP disclosed
WO-2008016239-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-02-07 WO disclosed