SCHEMBL3905197

SCHEMBL3905197

COC(=O)C1=C(Nc2ccc(-c3ccccc3)cc2)CC(C(=O)OC)=C(Nc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 2/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ PTPN1 P18031 2/20 0.47
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ EGFR P00533 1/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ ABCC1 P33527 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PTPN11 Q06124 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL3909905 0.90 MAPT (0.53) SLC6A3SLC6A2SLC6A4MAPTMEN1
SCHEMBL7621011 0.86 MAPT (0.49) SLC6A3SLC6A2SLC6A4MAPTMEN1
SCHEMBL3905204 0.82 NPC1 (0.47) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1415828 0.82 TDP1 (0.48) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL15131715 0.82 MAPT (0.45) SLC6A3SLC6A2SLC6A4MAPTMEN1
SCHEMBL20987439 0.81 MAPT (0.46) SLC6A3SLC6A2SLC6A4MAPTKMT2A
SCHEMBL1415795 0.81 ACHE (0.44) SLC6A3MAPTMEN1KMT2AKDM4E
SCHEMBL1415617 0.81 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4MAPTMEN1
SCHEMBL1415808 0.81 HTT (0.54) SLC6A3MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1415465 0.81 MEN1 (0.49) SLC6A3SLC6A4MAPTMEN1KMT2A

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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