SCHEMBL3895790

SCHEMBL3895790

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 9/20 0.43
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC6A3 Q01959 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33
▸ HPGD P15428 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 0.89 ACHE (0.45) ACHEMEN1KMT2ASMN1; SMN2HPGD
SCHEMBL3899768 0.88 ACHE (0.43) ACHESLC6A3SMN1; SMN2HPGD
SCHEMBL3909908 0.88 ACHE (0.44) ACHECYP3A4TSHRCASP3HPGD
SCHEMBL3902804 0.86 ALDH1A1 (0.36) ACHETSHRSMN1; SMN2HPGD
SCHEMBL3905199 0.86 SLC6A2 (0.41) ACHEMEN1KMT2ASLC6A3CYP3A4
SCHEMBL3908430 0.85 ACHE (0.33) ACHECA1CA2CA4CA7
SCHEMBL3899791 0.85 ACHE (0.39) ACHECYP3A4AKR1C3AKR1C2
SCHEMBL3897271 0.84 JAK3 (0.36) ACHECYP3A4TSHRSMN1; SMN2HPGD
SCHEMBL1415795 0.73 ACHE (0.44) ACHEMEN1KMT2ASLC6A3CASP3
SCHEMBL17629476 0.71 ACHE (0.41) ACHEMEN1KMT2ASLC6A3CASP3

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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