SCHEMBL27765795

SCHEMBL27765795

Nc1ccc(-c2ccc(-c3nc4c(cnn4-c4c[c]ccc4)c(=O)n3-c3ccc(Cl)cc3)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 3/20 0.49
GRM1 Q13255 9/20 0.49
GRM5 P41594 2/20 0.49
THRB P10828 1/20 0.45
LMNA P02545 2/20 0.43
TSHR P16473 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 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
SCHEMBL1753174 0.89 MAPT (0.66) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL27744844 0.86 MAPT (0.51) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL4169112 0.84 MAPT (0.55) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL4169690 0.83 MAPT (0.56) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL27765794 0.82 AOC3 (0.40) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL4164415 0.81 MAPT (0.54) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL4167589 0.81 GRM1 (0.61) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL4172768 0.80 MAPT (0.54) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL4171566 0.79 MAPT (0.53) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL1753279 0.79 MAPT (0.80) MAPTSMN1; SMN2HPGDALDH1A1KMT2A

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