SCHEMBL7991657

SCHEMBL7991657

O=C(Oc1ccc(O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.58
▸ MAPT P10636 8/20 0.58
▸ MEN1 O00255 7/20 0.58
▸ MAOA P21397 3/20 0.58
▸ TOP1 P11387 1/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ TDP1 Q9NUW8 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ MCL1 Q07820 2/20 0.49
▸ PABPC1 P11940 1/20 0.49
▸ CSNK1A1 P48729 1/20 0.49
▸ CSNK1D P48730 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PLEC Q15149 1/20 0.49
▸ CSNK1G1 Q9HCP0 1/20 0.49
▸ ALOX15 P16050 3/20 0.48
▸ HSD17B10 Q99714 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ ESR1 P03372 2/20 0.48

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
SCHEMBL11525810 0.88 EGFR (0.60) KMT2AMAPTMEN1MAOATOP1
SCHEMBL8612875 0.86 MAPT (0.63) KMT2AMAPTMEN1MAOASMN1; SMN2
SCHEMBL13183079 0.81 MAPT (0.61) KMT2AMAPTMEN1MAOASMN1; SMN2
SCHEMBL11524597 0.81 TOP1 (0.66) KMT2AMAPTMEN1TOP1SMN1; SMN2
SCHEMBL6367155 0.81 TOP1 (0.69) KMT2AMAPTMEN1TOP1SMN1; SMN2
SCHEMBL13159617 0.81 MEN1 (0.56) KMT2AMAPTMEN1MAOASMN1; SMN2
SCHEMBL11015465 0.80 KMT2A (0.51) KMT2AMAPTMEN1TOP1SMN1; SMN2
SCHEMBL17460658 0.78 MEN1 (0.56) KMT2AMAPTMEN1MAOASMN1; SMN2
SCHEMBL11529372 0.77 EGFR (0.57) KMT2AMAPTMEN1TOP1SMN1; SMN2
SCHEMBL12581680 0.77 TTR (0.44) KMT2AMAPTMEN1MAOATOP1

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
WO-2001092215-A2 SUPEROXIDE-GENERATING DIAZENIUMDIOLATES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR USING SAME US HEALTH (US) 2001-12-06 — — WO disclosed
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