SCHEMBL19687211

SCHEMBL19687211

CNNc1nc(Cl)cc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1318655 0.79 POLB (0.42) S1PR2ALDH1A1
SCHEMBL19708844 0.79 S1PR2 (0.35) S1PR2ALDH1A1
SCHEMBL19708732 0.78 MEN1 (0.38) S1PR2
SCHEMBL20614567 0.74 ALDH1A1 (0.30) ALDH1A1GAAPKMMAPK1
SCHEMBL9883847 0.74 TSHR (0.44) ALDH1A1GAAMAPK1
SCHEMBL19708843 0.73 MAPT (0.49) ALDH1A1GAAMAPK1
SCHEMBL21166232 0.73 CYP1A2 (0.57) ALDH1A1GAAPKM
SCHEMBL19687410 0.73 KDM4E (0.40) ALDH1A1GAA
SCHEMBL19708851 0.72 S1PR2 (0.34) S1PR2
SCHEMBL19687284 0.70 HSP90AA1 (0.32) ALDH1A1GAA

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
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO disclosed