SCHEMBL27744844

SCHEMBL27744844

Nc1ccc(-c2ccc(-c3nc4c(cnn4-c4c[c]ccc4)c(=O)n3-c3ccc(Cl)cc3)cc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
TP53 P04637 3/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
GRM1 Q13255 9/20 0.48
GRM5 P41594 2/20 0.48
THRB P10828 1/20 0.44
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL27765795 0.86 MAPT (0.53) MAPTSMN1; SMN2TP53HPGDALDH1A1
SCHEMBL4157160 0.84 MAPT (0.54) MAPTSMN1; SMN2TP53HPGDALDH1A1
SCHEMBL28776509 0.83 XDH (0.38) MAPTSMN1; SMN2TP53HPGDALDH1A1
SCHEMBL4164601 0.83 GRM1 (0.67) MAPTSMN1; SMN2TP53HPGDALDH1A1
SCHEMBL4163363 0.82 MAPT (0.53) MAPTSMN1; SMN2TP53HPGDALDH1A1
SCHEMBL4164801 0.82 GRM1 (0.59) MAPTSMN1; SMN2TP53HPGDALDH1A1
SCHEMBL1753270 0.80 GRM1 (0.66) MAPTSMN1; SMN2TP53HPGDALDH1A1
SCHEMBL4166802 0.80 MAPT (0.53) MAPTSMN1; SMN2TP53HPGDALDH1A1
SCHEMBL4180742 0.80 GRM1 (0.56) MAPTSMN1; SMN2TP53HPGDALDH1A1
SCHEMBL4172288 0.80 MAPT (0.52) MAPTSMN1; SMN2TP53HPGDALDH1A1

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-101454327-A Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2009-06-10 CN claimed
CN-101454327-A Azolopyrimidines as inhibitors of cannabinoid 1 activity IRM LLC (BM) 2009-06-10 CN disclosed