SCHEMBL11604431

SCHEMBL11604431

O=C(c1ccccc1)c1ccc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 4/20 0.56
▸ MAPK12 P53778 4/20 0.56
▸ MAPK11 Q15759 4/20 0.56
▸ MAPK14 Q16539 4/20 0.56
▸ CYP1A2 P05177 4/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAOA P21397 1/20 0.52
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ EGFR P00533 1/20 0.50
▸ PABPC1 P11940 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ HKDC1 Q2TB90 2/20 0.46

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
SCHEMBL11601756 0.96 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL6245049 0.93 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL11603979 0.91 MAOA (0.52) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL10789007 0.90 MAPT (0.57) CYP1A2TSHRMAOAL3MBTL1MAPT
SCHEMBL11604516 0.90 P2RY4 (0.48) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL11605682 0.89 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL11605556 0.88 MAPK13 (0.62) MAPK13MAPK12MAPK11MAPK14CYP1A2
SCHEMBL11600205 0.85 MAPT (0.59) CYP1A2TSHRMAOAL3MBTL1MAPT
SCHEMBL625150 0.85 MAPT (0.62) CYP1A2TSHRMAOAL3MBTL1MAPT
SCHEMBL11604371 0.83 MEN1 (0.48) MAPK13MAPK12MAPK11MAPK14CYP1A2

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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