SCHEMBL7056261

SCHEMBL7056261

COc1ccc(-n2ncc(OC(=O)Nc3ccc(N4CCC(N5CCOCC5)CC4)c(C#N)c3)c2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 6/20 0.50
HPGD P15428 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 1/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MCHR1 Q99705 2/20 0.38
JAK2 O60674 3/20 0.38

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
SCHEMBL7050099 0.93 ALDH1A1 (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7058698 0.92 MAPT (0.42) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7054601 0.92 MCHR1 (0.43) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7060964 0.92 ALDH1A1 (0.44) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7057946 0.92 ALDH1A1 (0.40) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7054997 0.92 ALDH1A1 (0.40) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7050368 0.90 MAPT (0.42) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7060834 0.89 MAPT (0.39) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL7059006 0.89 ALDH1A1 (0.39) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL6052485 0.89 MAPT (0.56) MAPTALDH1A1HPGDMEN1KMT2A

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