SCHEMBL7651790

SCHEMBL7651790

COOC(=O)c1cn(C)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
CYP2C9 P11712 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C19 P33261 4/20 0.42
CYP1A2 P05177 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
BRD4 O60885 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
NR4A2 P43354 1/20 0.34
DAO P14920 1/20 0.33

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
SCHEMBL5060056 0.86 GAA (0.50) KMT2ACYP2C9MAPTCYP2C19CYP1A2
SCHEMBL13534290 0.82 MAPT (0.55) KMT2ACYP2C9MAPTCYP2C19CYP1A2
SCHEMBL8672229 0.77 KMT2A (0.45) KMT2ACYP2C9MAPTCYP2C19CYP1A2
SCHEMBL15798719 0.75 KMT2A (0.44) KMT2ACYP2C9MAPTCYP2C19CYP1A2
SCHEMBL25424962 0.74 KMT2A (0.42) KMT2ACYP2C9MAPTCYP2C19CYP1A2
SCHEMBL23240428 0.72 BRD4 (0.49) KMT2ACYP2C9MAPTCYP2C19CYP1A2
SCHEMBL19847432 0.72 ALDH1A1 (0.50) KMT2AMAPTTDP1BRD4SMN1; SMN2
SCHEMBL15798471 0.70 KDM4E (0.51) KMT2ACYP2C9MAPTGAAMEN1
SCHEMBL28945709 0.70 BRD4 (0.54) KMT2ACYP2C9MAPTCYP2C19CYP1A2
SCHEMBL17372112 0.67 GRIN2D (0.42) KMT2ACYP2C9MAPTKDM4ESMN1; SMN2

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
EP-1187842-A1 HUMAN TUMOR NECROSIS FACTOR RECEPTOR TR10 Human Genome Sciences, Inc. (US) 2002-03-20 EP disclosed
WO-2000073321-A1 HUMAN TUMOR NECROSIS FACTOR RECEPTOR TR10 HUMAN GENOME SCIENCES, INC. (US) 2000-12-07 WO disclosed