SCHEMBL28110182

SCHEMBL28110182

Cc1cc(-c2ccc(Cl)cc2)nn1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
MAPT P10636 6/20 0.61
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
STAT3 P40763 2/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.54
NR1H2 P55055 1/20 0.54
NR1H3 Q13133 1/20 0.54
POLB P06746 2/20 0.53
TP53 P04637 2/20 0.53
GALR3 O60755 1/20 0.52
GAA P10253 1/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51

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
SCHEMBL28109720 0.91 SMN1; SMN2 (0.66) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL28109719 0.87 HDAC3 (0.64) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL1143516 0.82 MEN1 (0.89) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL2825520 0.81 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL23297286 0.79 POLB (0.63) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL26307648 0.78 MEN1 (0.62) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL26306719 0.78 MAPT (0.57) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL27687135 0.78 MARS1 (0.65) SMN1; SMN2MAPTMEN1KMT2ASTAT3
SCHEMBL12122635 0.78 TSHR (0.55) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL10330277 0.76 PDE5A (0.51) SMN1; SMN2LMNACYP1A2POLBHIF1A

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
CN-106061975-A Pyrazolo[1,5-a]pyrimidines as antiviral compounds 阿波德穆斯公司 2016-10-26 CN claimed
CN-106061975-A Pyrazolo[1,5-a]pyrimidines as antiviral compounds 阿波德穆斯公司 2016-10-26 CN disclosed