SCHEMBL3905204

SCHEMBL3905204

CCOC(=O)C1=C(Nc2ccc(-c3ccccc3)cc2)CC(C(=O)O)=C(Nc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GBA1 P04062 1/20 0.47
▸ MAPT P10636 4/20 0.44
▸ DHODH Q02127 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ACHE P22303 1/20 0.42

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
SCHEMBL3909913 0.92 MAPT (0.49) NPC1MEN1KMT2AMAPTDHODH
SCHEMBL3900458 0.88 CASP3 (0.52) MEN1KMT2AMAPTDHODHSMN1; SMN2
SCHEMBL3911808 0.88 MAPT (0.52) NPC1MEN1KMT2AMAPTDHODH
SCHEMBL3899773 0.86 GAA (0.50) NPC1MEN1KMT2AMAPTDHODH
SCHEMBL3895791 0.86 CASP3 (0.54) MEN1KMT2AMAPTDHODHSMN1; SMN2
SCHEMBL3908437 0.82 ALDH1A1 (0.41) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL3899794 0.82 DHODH (0.48) MEN1KMT2AMAPTDHODHTP53
SCHEMBL3905197 0.82 SLC6A3 (0.52) NPC1MEN1KMT2AMAPTDHODH
SCHEMBL4098338 0.79 TRPV1 (0.54) NPC1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7621011 0.78 MAPT (0.49) NPC1MEN1KMT2AMAPTSMN1; SMN2

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 4 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
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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