SCHEMBL14747833

SCHEMBL14747833

N=C(N)Nc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
PKM P14618 1/20 0.53
GAA P10253 1/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
POLB P06746 1/20 0.44
PLK4 O00444 1/20 0.42
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
CHUK O15111 1/20 0.42
DAPK3 O43293 1/20 0.42
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
PAK4 O96013 1/20 0.42
CHEK2 O96017 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
FGFR3 P22607 1/20 0.42
RPS6KB1 P23443 1/20 0.42

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
SCHEMBL2000342 0.96 MEN1 (0.49) L3MBTL1PKMGAAKMT2AMEN1
Hydrochloric Acid SCHEMBL8886794 0.94 MEN1 (0.47) L3MBTL1PKMGAAKMT2AMEN1
SCHEMBL2001036 0.89 L3MBTL1 (0.43) L3MBTL1PKMGAAKMT2AMEN1
SCHEMBL6376058 0.83 P2RY14 (0.50) GAA
SCHEMBL27405995 0.83 L3MBTL1 (0.43) L3MBTL1PKMGAAKMT2AMEN1
SCHEMBL3828194 0.83 L3MBTL1 (0.57) L3MBTL1PKMGAAKMT2AMEN1
SCHEMBL6934207 0.82 CHEK1 (0.48) KMT2AMEN1POLBPLK4CHEK1
SCHEMBL1185244 0.81 KMT2A (0.58) L3MBTL1PKMKMT2AMEN1
SCHEMBL2348474 0.81 KMT2A (0.44) L3MBTL1PKMGAAKMT2AMEN1
Hydrochloric Acid SCHEMBL3839558 0.80 KMT2A (0.57) L3MBTL1PKMKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3050618-A1 ALDEHYDE REMOVAL MATERIAL Toyobo Co., Ltd. (JP) 2016-08-03 EP disclosed
US-20160214079-A1 ALDEHYDE REMOVING AGENT TOYOBO CO., LTD. (JP) 2016-07-28 US disclosed
EP-1403339-B1 Black ink for inkjet recording FUJIFILM CORP (JP) 2013-03-06 EP disclosed