SCHEMBL215766

SCHEMBL215766

Cc1ccccc1NC(=O)c1nc[nH]c1C(N)=O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.76
ALDH1A1 P00352 10/20 0.70
LMNA P02545 1/20 0.70
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
MAPT P10636 4/20 0.67
KDM4E B2RXH2 3/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
HSD17B10 Q99714 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.64
HPGD P15428 4/20 0.57
CYP1A2 P05177 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
BCAT2 O15382 1/20 0.51
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL214570 0.84 GAA (0.55) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL4105577 0.84 GAA (0.55) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL2735268 0.77 GAA (0.65) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL213391 0.77 ALDH1A1 (0.76) GAAALDH1A1KMT2AMEN1KDM4E
SCHEMBL17143115 0.75 SMN1; SMN2 (0.54) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL213525 0.74 GAA (0.58) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL28438962 0.72 HPGD (0.57) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL216639 0.72 MAPT (0.46) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL17142801 0.72 GRM4 (0.55) GAAALDH1A1KMT2AMEN1MAPT
SCHEMBL4570473 0.71 KMT2A (0.57) GAAALDH1A1LMNAKMT2AMEN1

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
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed