SCHEMBL3908589

SCHEMBL3908589

COC(=O)C1=C(Nc2ccc(Cl)cc2Cl)CC(C(=O)OC)C(Nc2ccc(Cl)cc2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HPGD P15428 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ DYRK1A Q13627 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL3895801 0.81 SLC6A2 (0.32) SLC6A3
SCHEMBL3899768 0.80 ACHE (0.43) MAPTHPGDSLC6A3ALDH1A1GAA
SCHEMBL4098337 0.78 SLC6A3 (0.42) MAPTHPGDSLC6A3MEN1KMT2A
SCHEMBL3908584 0.76 NPC1 (0.49) NPC1RAB9AMAPTATMHPGD
SCHEMBL3909908 0.72 ACHE (0.44) NPC1RAB9AMAPTHPGDMAPK1
SCHEMBL3900452 0.71 ACHE (0.45) MAPTHPGDMAPK1MEN1KMT2A
SCHEMBL3902804 0.69 ALDH1A1 (0.36) NPC1RAB9AMAPTHPGDMAPK1
SCHEMBL3908430 0.68 ACHE (0.33) MAPTMAPK1HSD17B10
SCHEMBL3899791 0.68 ACHE (0.39) MAPTMAPK1ALDH1A1KDM4EGAA
SCHEMBL3897271 0.67 JAK3 (0.36) HPGDUSP2ALDH1A1HSD17B10POLB

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 8 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
EP-0654472-B1 Process for the production of 6,13-dihydroquinacridones TOYO INK MFG CO (JP) 2000-03-29 — — 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
US-5610306-A ALCOHOL ELIMINATION REACTION OF 2,5-DI(PHENYLAMINO)-3,6--DIHYDROTEREPHTHALIC ACID DIALKYL ESTER; CYCLIZATION TOYO INK MANUFACTURING CO., LTD. (JP) 1997-03-11 — — US disclosed
EP-0654472-A1 Process for the production of 6,13-dihydroquinacridones and apparatus for use for the production TOYO INK MANUFACTURING CO., LTD. (JP) 1995-05-24 — — EP 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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