SCHEMBL11709396

SCHEMBL11709396

NNc1nc(-c2ccccc2)c2cccc(Cl)c2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.62
MAPT P10636 6/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
DHODH Q02127 1/20 0.46
AGTR1 P30556 3/20 0.44
NUDT1 P36639 2/20 0.43
THRB P10828 1/20 0.43
ADORA2A P29274 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 3/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR4A2 P43354 1/20 0.39
GLA P06280 2/20 0.39

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
SCHEMBL6695769 0.82 DHODH (0.44) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL25053156 0.80 MAPT (0.64) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL3488590 0.79 ALDH1A1 (0.53) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL11705225 0.77 POLB (0.57) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL28202634 0.77 DHODH (0.56) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL11704342 0.77 MAPT (1.00) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL23577437 0.73 PDE5A (0.42)
SCHEMBL11704650 0.73 MAPT (1.00) GAAMAPTKMT2AMEN1ALDH1A1
SCHEMBL6695775 0.72 KMT2A (0.65) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL21933936 0.71 DHODH (0.50) MAPTALDH1A1KDM4ELMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4002755-A Triazoloquinazolines SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-01-11 US disclosed