SCHEMBL7122680

SCHEMBL7122680

Cc1c(OC(=O)Nc2ccc(N3CCC(N(CCO)CCO)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
AR P10275 1/20 0.36
CCR4 P51679 3/20 0.35
PDE7A Q13946 1/20 0.35
KCNH2 Q12809 1/20 0.34
CHIT1 Q13231 1/20 0.34

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
SCHEMBL7117852 0.93 MAPT (0.39) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7054702 0.89 MAPT (0.39) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7059443 0.88 PDE7A (0.45) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL6052392 0.87 NPC1 (0.41) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7057735 0.86 MAPT (0.41) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7058465 0.85 ALDH1A1 (0.43) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7057326 0.85 MAPT (0.40) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7061032 0.84 DRD4 (0.41) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7055511 0.84 HSD17B10 (0.40) MAPTALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7061009 0.83 HSD17B10 (0.38) MAPTALDH1A1HSD17B10MEN1KMT2A

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