SCHEMBL3902804

SCHEMBL3902804

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ MAPT P10636 5/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ GAA P10253 3/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SHMT2 P34897 1/20 0.34
▸ ACHE P22303 4/20 0.34
▸ IDH1 O75874 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL3900452 0.87 ACHE (0.45) ALDH1A1MAPTSMN1; SMN2HPGDGAA
SCHEMBL3897271 0.87 JAK3 (0.36) ALDH1A1SMN1; SMN2HPGDTSHRACHE
SCHEMBL3899768 0.86 ACHE (0.43) ALDH1A1MAPTSMN1; SMN2HPGDGAA
SCHEMBL3895790 0.86 ACHE (0.43) SMN1; SMN2HPGDTSHRACHE
SCHEMBL3909908 0.86 ACHE (0.44) ALDH1A1MAPTNPC1HPGDRAB9A
SCHEMBL3905199 0.84 SLC6A2 (0.41) MAPTNPC1SMN1; SMN2HPGDRAB9A
SCHEMBL3908430 0.83 ACHE (0.33) MAPTMAPK1ACHEHSD17B10
SCHEMBL3899791 0.83 ACHE (0.39) ALDH1A1MAPTGAAMAPK1TDP1
SCHEMBL3902803 0.75 MAPT (0.45) ALDH1A1MAPTNPC1SMN1; SMN2HPGD
SCHEMBL9065024 0.69 LMNA (0.40) ALDH1A1MAPTSMN1; SMN2HPGDGAA

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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