SCHEMBL7058692

SCHEMBL7058692

Cc1c(OC(=O)Nc2ccc(N3CCN(C4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
TBK1 Q9UHD2 6/20 0.38
JAK2 O60674 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PDE7A Q13946 3/20 0.38
MCHR1 Q99705 2/20 0.37

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
SCHEMBL7059006 0.94 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7055814 0.93 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7059080 0.91 MCHR1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7058462 0.91 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7060766 0.90 MCHR1 (0.40) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7055517 0.90 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7056991 0.90 MEN1 (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7058602 0.89 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7057769 0.88 EGFR (0.39) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6052303 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD

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