SCHEMBL1965240

SCHEMBL1965240

Clc1ccccc1-c1nc2cccc(Cl)n2c1Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 14/20 0.53
TP53 P04637 10/20 0.53
SMN1; SMN2 Q16637 8/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 10/20 0.41
CNR1 P21554 1/20 0.40
HTT P42858 1/20 0.39
PPP1CA P62136 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGS2 P35354 1/20 0.38
PKM P14618 2/20 0.38
PKLR P30613 2/20 0.38
POLB P06746 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
SCHEMBL1967089 0.87 GAA (0.62) GAATP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1964935 0.87 GAA (0.51) GAATP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1967207 0.83 GAA (0.47) GAATP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1970576 0.83 GAA (0.47) GAATP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1964836 0.82 GAA (0.54) GAATP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1966488 0.81 GAA (0.46) GAATP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1965255 0.80 GAA (0.64) GAATP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1968357 0.79 GAA (0.51) GAATP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL1967015 0.78 PKM (0.53) GAATP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL13031456 0.78 GAA (0.65) GAATP53SMN1; SMN2KDM4EALDH1A1

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-2334675-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-06-22 EP disclosed
WO-2010032195-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2010-03-25 WO disclosed