SCHEMBL3909896

SCHEMBL3909896

CCOC(=O)C1=C(Nc2ccc(C)cc2Cl)CC(C(=O)O)=C(Nc2ccc(C)cc2Cl)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ CASP3 P42574 1/20 0.37

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
SCHEMBL3908593 0.91 MEN1 (0.47) LMNAKMT2AMEN1CYP1A2CYP2C19
SCHEMBL3909885 0.83 ALDH1A1 (0.46) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3895804 0.82 ALDH1A1 (0.36) LMNAKMT2AMEN1CYP1A2CYP2C9
SCHEMBL3900458 0.80 CASP3 (0.52) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3899773 0.78 GAA (0.50) KMT2AMEN1MAPTSMN1; SMN2KDM4E
SCHEMBL4098338 0.76 TRPV1 (0.54) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3909913 0.76 MAPT (0.49) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3895791 0.75 CASP3 (0.54) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3905204 0.72 NPC1 (0.47) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3908584 0.71 NPC1 (0.49) KMT2AMEN1MAPTRAB9AALDH1A1

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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