SCHEMBL29645943

SCHEMBL29645943

COc1ccc(-c2nc3c4cc(OC)ccc4nc(Nc4ccccnc4=O)n3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
THRB P10828 2/20 0.50
KDM4E B2RXH2 3/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 1/20 0.47
ADORA3 P0DMS8 6/20 0.46
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL29645577 0.95 MAPT (0.45) MAPTTHRBKDM4EPOLBALDH1A1
SCHEMBL29646002 0.94 MAPT (0.48) MAPTTHRBKDM4EPOLBALDH1A1
SCHEMBL29645491 0.94 MAPT (0.48) MAPTTHRBKDM4EPOLBALDH1A1
SCHEMBL29645698 0.93 ADORA3 (0.54) MAPTTHRBKDM4EPOLBALDH1A1
SCHEMBL29645988 0.93 MAPT (0.47) MAPTTHRBKDM4EPOLBALDH1A1
SCHEMBL29645650 0.93 MAPT (0.50) MAPTTHRBKDM4EPOLBALDH1A1
SCHEMBL29645487 0.92 MAPT (0.59) MAPTTHRBKDM4EPOLBALDH1A1
SCHEMBL29645730 0.91 MAPT (0.52) MAPTTHRBKDM4EPOLBALDH1A1
SCHEMBL29645957 0.90 ADORA3 (0.47) MAPTTHRBKDM4EPOLBALDH1A1
SCHEMBL29645637 0.90 MAPT (0.45) MAPTTHRBKDM4EPOLBALDH1A1

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
CN-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 CN claimed