SCHEMBL11605803

SCHEMBL11605803

O=C1c2cccc(Nc3ccccc3Cl)c2C(=O)c2cccc(Nc3ccccc3Cl)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.53
▸ EGFR P00533 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ PABPC1 P11940 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ DHODH Q02127 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ P2RY4 P51582 1/20 0.51
▸ GNG2 P59768 1/20 0.49
▸ GNB1 P62873 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ MAOA P21397 1/20 0.47
▸ FABP3 P05413 4/20 0.44
▸ FABP4 P15090 4/20 0.44
▸ FABP5 Q01469 1/20 0.44
▸ CXCL8 P10145 1/20 0.44
▸ CASP3 P42574 2/20 0.43

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
SCHEMBL17029053 0.93 DHODH (0.54) MAPK1EGFRMAPTPABPC1RAB9A
SCHEMBL11797516 0.87 DHODH (0.55) MAPK1EGFRMAPTPABPC1RAB9A
SCHEMBL42481 0.84 MAPT (0.71) MAPK1EGFRMAPTPABPC1RAB9A
SCHEMBL29438168 0.84 MAPT (0.71) MAPK1EGFRMAPTPABPC1RAB9A
SCHEMBL11306687 0.84 MAPT (0.71) MAPK1EGFRMAPTPABPC1RAB9A
SCHEMBL11790292 0.83 FABP3 (0.48) MAPK1EGFRMAPTPABPC1RAB9A
SCHEMBL11791498 0.83 CXCL8 (0.48) MAPK1EGFRMAPTPABPC1RAB9A
SCHEMBL11790953 0.82 CYP1A2 (0.47) MAPK1EGFRMAPTPABPC1RAB9A
SCHEMBL10601717 0.81 CYP1A2 (0.69) MAPK1EGFRMAPTPABPC1RAB9A
SCHEMBL11063817 0.81 DHODH (0.60) MAPK1EGFRMAPTPABPC1RAB9A

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
US-4128396-A Process for the improvement of dyeing properties of pigments of the anilino and arylmercapto anthraquinone series CIBA-GEIGY CORPORATION (US) 1978-12-05 — — US disclosed
US-3975410-A Process for the manufacture of halogen-containing anthraquinoidal compounds, their use and new halogen-containing anthraquinoidal compounds CIBA-GEIGY CORPORATION (US) 1976-08-17 — — US disclosed
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