SCHEMBL22069722

SCHEMBL22069722

CNCC(=O)Nc1ccc(Oc2ccc(C(C)C)cc2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ESRRA P11474 2/20 0.49
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
PNLIP P16233 10/20 0.48
FFAR1 O14842 1/20 0.48
F7 P08709 1/20 0.47
PARG Q86W56 1/20 0.46
POLB P06746 1/20 0.46
STK39 Q9UEW8 1/20 0.46
RORC P51449 1/20 0.45

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
SCHEMBL22069691 0.89 PNLIP (0.60) MAPTNPSR1PNLIPSTK39
SCHEMBL22069693 0.88 ESRRA (0.51) MEN1KMT2AESRRAMAPTNPSR1
SCHEMBL22069654 0.87 FFAR1 (0.52) MEN1KMT2AFNTAFNTBPNLIP
SCHEMBL22069709 0.87 PNLIP (0.51) MEN1KMT2AESRRAMAPTNPSR1
SCHEMBL11205308 0.83 PNLIP (0.52) ESRRAMAPTNPSR1PNLIPFFAR1
SCHEMBL22069659 0.81 P2RX4 (0.54) MEN1KMT2AESRRAMAPTPNLIP
SCHEMBL11135545 0.81 MEN1 (0.51) MEN1KMT2AESRRAMAPTNPSR1
SCHEMBL24629452 0.79 KMT2A (0.67) MEN1KMT2AMAPTNPSR1POLB
SCHEMBL29769164 0.79 KMT2A (0.67) MEN1KMT2AMAPTNPSR1POLB
SCHEMBL23685241 0.79 SMN1; SMN2 (0.63) MEN1KMT2A

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
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed
EP-3666769-A1 NOVEL CASPASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-06-17 EP disclosed