SCHEMBL3895791

SCHEMBL3895791

CCOC(=O)C1=C(Nc2ccc(Br)cc2)CC(C(=O)O)=C(Nc2ccc(Br)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.54
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ DHODH Q02127 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KYAT1 Q16773 1/20 0.44
▸ NHERF1 O14745 1/20 0.44
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPEPPS P55786 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TP53 P04637 1/20 0.39

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
SCHEMBL3900458 0.89 CASP3 (0.52) CASP3MEN1KMT2AMAPTDHODH
SCHEMBL3909913 0.88 MAPT (0.49) CASP3MEN1KMT2AMAPTDHODH
SCHEMBL3899773 0.87 GAA (0.50) CASP3MEN1KMT2AMAPTKDM4E
SCHEMBL3905204 0.86 NPC1 (0.47) MEN1KMT2AMAPTDHODHLMNA
SCHEMBL1415410 0.84 AKR1C3 (0.45) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL3908437 0.84 ALDH1A1 (0.41) CASP3MEN1KMT2AMAPTNPSR1
SCHEMBL3899794 0.84 DHODH (0.48) CASP3MEN1KMT2AMAPTKDM4E
SCHEMBL3911808 0.83 MAPT (0.52) MEN1KMT2AMAPTDHODHNPSR1
SCHEMBL1415795 0.80 ACHE (0.44) CASP3MEN1KMT2AMAPTKDM4E
SCHEMBL4098338 0.78 TRPV1 (0.54) MEN1KMT2AMAPTKDM4EKYAT1

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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