SCHEMBL3902803

SCHEMBL3902803

COC(=O)C1=C(Nc2ccc(N(C)C)cc2)CC(C(=O)OC)=C(Nc2ccc(N(C)C)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ NOX1 Q9Y5S8 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ ALDH1A1 P00352 7/20 0.43
▸ GAA P10253 5/20 0.43
▸ MAPK1 P28482 4/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TSHR P16473 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ CISD2 Q8N5K1 1/20 0.40
▸ MEN1 O00255 3/20 0.40

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
SCHEMBL1415828 0.82 TDP1 (0.48) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL3897268 0.82 HPGD (0.44) MAPTSMN1; SMN2HPGDTP53ALDH1A1
SCHEMBL1415795 0.81 ACHE (0.44) MAPTHPGDALDH1A1GAAMAPK1
SCHEMBL1415808 0.81 HTT (0.54) MAPTNPC1SMN1; SMN2RAB9ATP53
SCHEMBL1415465 0.81 MEN1 (0.49) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL1415617 0.81 SLC6A3 (0.49) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL3909905 0.80 MAPT (0.53) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL3905197 0.78 SLC6A3 (0.52) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL3899783 0.77 EPHX2 (0.45) NPC1RAB9AALDH1A1GAAMAPK1
SCHEMBL12392802 0.77 ACHE (0.43) MAPTNPC1SMN1; SMN2RAB9AHPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632106-B2 Process for the production of 2,5-di(arylamino)-3,6- dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MFG CO (JP) 2009-02-25 — — EP disclosed
EP-0632106-B1 Process for the production of 2,5-di(arylamino)-3,6- dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MFG CO (JP) 2001-08-22 — — EP disclosed
US-5817817-A Process for the production of 2,5-di(arylamino)-3,6-dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MANUFACTURING CO., LTD. (JP) 1998-10-06 — — US disclosed
US-5659036-A Process for the production of 2,5-di(arylamino)-3,6-dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MANUFACTURING CO., LTD. (JP) 1997-08-19 — — US disclosed
EP-0632106-A1 Process for the production of 2,5-di(arylamino)-3,6- dihydroterephthalic acid dialkyl ester, and process for the production of quinacridone from said ester as intermediate TOYO INK MANUFACTURING CO., LTD. (JP) 1995-01-04 — — EP disclosed
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