SCHEMBL27776229

SCHEMBL27776229

O=C(Oc1ccc(C=NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)o1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.58
▸ KMT2A Q03164 13/20 0.58
▸ MEN1 O00255 11/20 0.58
▸ LMNA P02545 8/20 0.58
▸ GAA P10253 6/20 0.58
▸ HTT P42858 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ RECQL P46063 2/20 0.58
▸ TEX264 Q9Y6I9 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.55
▸ NPSR1 Q6W5P4 7/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ PIKFYVE Q9Y2I7 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ POLB P06746 3/20 0.50
▸ DDX3X O00571 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47

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
SCHEMBL27776235 0.81 MAPT (0.63) MAPTKMT2AMEN1LMNAGAA
SCHEMBL13942499 0.81 MAPT (0.64) MAPTKMT2AMEN1LMNAGAA
SCHEMBL22737807 0.79 MAPT (0.68) MAPTKMT2AMEN1LMNAGAA
SCHEMBL13091225 0.77 KMT2A (0.84) MAPTKMT2AMEN1LMNAGAA
SCHEMBL11913670 0.77 MAPT (0.58) MAPTKMT2AMEN1LMNAGAA
SCHEMBL22737384 0.76 MAPT (0.70) MAPTKMT2AMEN1LMNAGAA
SCHEMBL13942700 0.76 MAPT (0.55) MAPTKMT2AMEN1LMNAGAA
SCHEMBL28782778 0.76 MAPT (0.61) MAPTKMT2AMEN1LMNAGAA
SCHEMBL13091224 0.75 KMT2A (0.71) MAPTKMT2AMEN1LMNAGAA
SCHEMBL12417173 0.75 MAPT (0.56) MAPTKMT2AMEN1LMNAGAA

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-101684115-B 4-(5-((2-(4-morpholinyl-6-phenylamino group-1,3,5-triazine-2-base) hydrazono) methyl) furan-2-base) benzoic acid, preparing method and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2011-12-21 — — CN disclosed
CN-101684115-A 4-(5-((2-(4-morpholinyl-6-phenylamino group-1,3,5-triazine-2-base) hydrazono) methyl) furan-2-base) benzoic acid, preparing method and application thereof SHANGHAI INST PHARM INDUSTRY 2010-03-31 — — CN disclosed
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