SCHEMBL4011575

SCHEMBL4011575

NC(=O)C1CCCn2c1nc1ccccc1c2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.60
BCHE P06276 2/20 0.60
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.50
HSD17B10 Q99714 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
USP2 O75604 1/20 0.50
CYP1A2 P05177 1/20 0.50
CFTR P13569 1/20 0.50
ALOX15 P16050 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
GOPC Q9HD26 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ELANE P08246 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL13961400 1.00 ACHE (0.60) ACHEBCHEALDH1A1KDM4EHSD17B10
SCHEMBL12477497 0.83 POLB (0.47) USP2MAPTPOLB
SCHEMBL5506588 0.81 ACHE (0.62) ACHEBCHEALDH1A1KDM4EHSD17B10
SCHEMBL13961390 0.80 ACHE (0.40) ACHEBCHEALDH1A1KDM4EHSD17B10
SCHEMBL11053382 0.76 ACHE (0.59) ACHEBCHEALDH1A1KDM4EHSD17B10
SCHEMBL13961415 0.76 ALDH1A1 (0.39) ACHEBCHEALDH1A1KMT2AMEN1
SCHEMBL5511124 0.75 ACHE (0.69) ACHEBCHEALDH1A1KDM4EHSD17B10
SCHEMBL29638891 0.75 ACHE (1.00) ACHEBCHEALDH1A1KDM4EHSD17B10
SCHEMBL3892901 0.75 ACHE (1.00) ACHEBCHEALDH1A1KDM4EHSD17B10
SCHEMBL13960728 0.75 ALDH1A1 (0.34) ACHEBCHEALDH1A1USP2KMT2A

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
WO-2009015179-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009015179-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed