SCHEMBL21708401

SCHEMBL21708401

Nc1nc2cccc(O)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
MASP2 O00187 1/20 0.48
MEN1 O00255 1/20 0.48
NUDT1 P36639 1/20 0.48
AOC3 Q16853 1/20 0.48
QTRT1 Q9BXR0 1/20 0.47
ACHE P22303 1/20 0.43
PLAU P00749 2/20 0.43
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PSMB8 P28062 1/20 0.39
NCF1 P14598 1/20 0.37
AURKA O14965 1/20 0.37
TYMS P04818 2/20 0.37
GUSB P08236 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3287768 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AMASP2MEN1NUDT1
SCHEMBL4314005 0.79 ACHE (0.46) ALDH1A1KMT2AACHECYP1A2GAA
SCHEMBL1043194 0.78 PLAUR (0.54) ALDH1A1KMT2AMEN1QTRT1ACHE
Bromide SCHEMBL11628989 0.78 ACHE (0.45) ALDH1A1KMT2AACHECYP1A2GAA
SCHEMBL9305473 0.76 ACHE (0.43) ALDH1A1KMT2AACHECYP1A2GAA
SCHEMBL727229 0.76 ALDH1A1 (0.48) ALDH1A1KMT2AMASP2MEN1NUDT1
SCHEMBL9306986 0.76 ACHE (0.43) ALDH1A1KMT2AACHECYP1A2GAA
SCHEMBL18340923 0.76 MASP2 (0.48) ALDH1A1KMT2AMASP2MEN1NUDT1
SCHEMBL31122397 0.76 NUDT1 (0.48) ALDH1A1KMT2AMASP2MEN1NUDT1
SCHEMBL5924246 0.76 TYMS (0.51) ALDH1A1KMT2AMASP2MEN1NUDT1

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-3611224-A1 COMPOSITION, COMPOSITE FILM AND MEMBRANE ELECTRODE ASSEMBLY ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-02-19 EP disclosed
CN-110366576-A Composition, composite membrane, membrane-electrode assembly 旭化成株式会社 2019-10-22 CN disclosed