SCHEMBL7058602

SCHEMBL7058602

Cc1c(OC(=O)Nc2ccc(N3CCN(C4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
RXFP1 Q9HBX9 3/20 0.49
MAPT P10636 12/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.38
TBK1 Q9UHD2 3/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TP53 P04637 3/20 0.37
LMNA P02545 2/20 0.37
JAK2 O60674 1/20 0.35
STING1 Q86WV6 1/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 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
SCHEMBL7057679 0.94 MEN1 (0.47) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL7058462 0.90 ALDH1A1 (0.43) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL7055517 0.89 ALDH1A1 (0.41) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL7058692 0.89 ALDH1A1 (0.41) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL7056991 0.89 MEN1 (0.42) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL7059080 0.89 MCHR1 (0.43) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL7055814 0.89 ALDH1A1 (0.42) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL7056088 0.88 ALDH1A1 (0.51) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL6052315 0.88 MEN1 (0.52) MEN1ALDH1A1KMT2ANPSR1RXFP1
SCHEMBL7060766 0.87 MCHR1 (0.40) MEN1ALDH1A1KMT2ANPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed