SCHEMBL11806463

SCHEMBL11806463

O=C1c2ccccc2C(=O)c2c1ccc(Nc1cccc(Cl)c1Cl)c2Nc1cccc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.52
▸ CYP1A2 P05177 2/20 0.49
▸ MAPT P10636 6/20 0.45
▸ MAPK1 P28482 6/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ EGFR P00533 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ GNG2 P59768 1/20 0.43
▸ GNB1 P62873 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MAOA P21397 3/20 0.41
▸ P2RY4 P51582 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ ADORA2A P29274 1/20 0.38

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
SCHEMBL11816027 0.90 MAPT (0.45) DHODHCYP1A2MAPTMAPK1SMN1; SMN2
SCHEMBL11331367 0.85 CYP1A2 (0.64) CYP1A2MAPTMAPK1SMN1; SMN2EGFR
SCHEMBL11063817 0.85 DHODH (0.60) DHODHCYP1A2MAPTMAPK1SMN1; SMN2
SCHEMBL11809911 0.82 MAPT (0.43) CYP1A2MAPTMAPK1SMN1; SMN2EGFR
SCHEMBL11797516 0.82 DHODH (0.55) DHODHCYP1A2MAPTMAPK1SMN1; SMN2
SCHEMBL28305926 0.78 CYP1A2 (0.49) DHODHCYP1A2MAPTMAPK1SMN1; SMN2
SCHEMBL11534639 0.78 ADORA2A (0.56) DHODHCYP1A2MAPTMAPK1SMN1; SMN2
SCHEMBL11792072 0.76 CYP1A2 (0.49) DHODHCYP1A2MAPTMAPK1SMN1; SMN2
SCHEMBL28288703 0.76 CYP1A2 (0.47) CYP1A2MAPTMAPK1SMN1; SMN2EGFR
SCHEMBL11789460 0.75 CYP1A2 (0.48) DHODHCYP1A2MAPTMAPK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3998780-A Bis-(polyhalogenoanilino)-anthraquinones CIBA-GEIGY CORPORATION (US) 1976-12-21 — — US disclosed
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