SCHEMBL8746166

SCHEMBL8746166

COc1cc(N=Nc2cccc(OC(=O)O)c2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ PRSS1 P07477 1/20 0.40
▸ ACR P10323 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ NOS3 P29474 2/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ NOS2 P35228 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ PTGS2 P35354 2/20 0.39

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
SCHEMBL9179615 0.81 CCNE2 (0.49) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9179620 0.81 CCNE2 (0.49) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30287633 0.80 MEN1 (0.56) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4537236 0.80 MEN1 (0.56) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL4537233 0.80 MEN1 (0.56) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5720649 0.78 ALDH1A1 (0.59) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5720651 0.78 ALDH1A1 (0.59) GAAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL11339916 0.76 MAPT (0.44) GAAMAPTMEN1KMT2ALMNA
SCHEMBL6834951 0.75 CA12 (0.47) GAAMAPTMEN1KMT2ALMNA
SCHEMBL3094056 0.75 SENP3 (0.57) GAAMAPTMEN1KMT2ASMN1; SMN2

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
EP-0684288-B1 Process for the preparation of aminoazo dyes BASF AG (DE) 1997-02-12 — — EP disclosed
EP-0684288-A1 Process for the preparation of aminoazo dyes BASF Aktiengesellschaft (DE) 1995-11-29 — — EP disclosed
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