SCHEMBL11362829

SCHEMBL11362829

O=C1c2cccc(Cl)c2C(=O)c2cccc(O)c21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.76
▸ MAPT P10636 6/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ MAPK1 P28482 3/20 0.67
▸ TDP1 Q9NUW8 3/20 0.67
▸ TSHR P16473 2/20 0.67
▸ HPGD P15428 2/20 0.67
▸ ALOX15 P16050 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ MAOB P27338 2/20 0.67
▸ LMNA P02545 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ STAT3 P40763 3/20 0.58
▸ AURKA O14965 1/20 0.58
▸ AURKB Q96GD4 1/20 0.58
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ RECQL P46063 4/20 0.52

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
SCHEMBL14207782 0.90 MAOA (0.61) MAOAMAPTALDH1A1MAPK1TDP1
SCHEMBL9640852 0.90 MAOA (0.73) MAOAMAPTALDH1A1MAPK1TDP1
SCHEMBL125609 0.87 NSD2 (0.55) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL29363946 0.87 MAOA (1.00) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL187843 0.87 MAOA (1.00) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL29874705 0.87 MAOA (1.00) MAOAMAPTALDH1A1MAPK1TDP1
SCHEMBL10356146 0.87 MAOA (0.57) MAOAMAPTALDH1A1MAPK1TDP1
SCHEMBL28179847 0.87 MAOA (0.68) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL28419741 0.85 MAOA (0.95) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL28196883 0.85 MAOA (0.95) MAOAMAPTALDH1A1MAPK1TDP1

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
US-4261909-A Process for the reductive removal of halogen atoms from anthraquinones CIBA-GEIGY AG (CH) 1981-04-14 — — US disclosed
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