SCHEMBL9027261

SCHEMBL9027261

O=C(Oc1ccc(Cl)cc1)c1ccc(C(=O)Oc2ccc(Cl)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ELANE P08246 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
BCHE P06276 1/20 0.41
THRB P10828 1/20 0.41
LIPE Q05469 2/20 0.41
ALDH1A1 P00352 1/20 0.41
IKBKB O14920 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9027268 0.93 DAO (0.48) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL6828740 0.85 MAPT (0.41) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL69758 0.79 HPGD (0.52) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL610755 0.77 KMT2A (0.69) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL9683516 0.77 KMT2A (0.69) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL10599787 0.77 KMT2A (0.69) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL8543811 0.74 HPGD (0.47) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL54704 0.74 ELANE (0.47) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL9394319 0.73 HPGD (0.55) MAPTKMT2AMEN1SMN1; SMN2HTT
SCHEMBL56865 0.73 KMT2A (0.50) MAPTKMT2AMEN1SMN1; SMN2HTT

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-0719774-A1 A method for production of dibenzoxazolyl thiophenes SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-07-03 EP disclosed
US-5310940-A Sulfiding, cyclization SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1994-05-10 US disclosed
US-5221749-A Reacting a thiophene,2,5-dicarboxylic acid diester with a 2-aminophenol in the presence of an acid catalyst SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1993-06-22 US disclosed
US-5093504-A PRODUCTION OF THIOPHENE-2,5-DICARBOXYLIC ACID DIESTERS, TETRAHYDROTHIOPHENE-2,5-DICARBOXYLIC ACID DIESTERS AND DIBENZOXAZOLYLTHIOPHENES SUMITOMO SEIKA CHEMICALS, CO., LTD. (JP) 1992-03-03 US disclosed
EP-0387725-A2 Production of thiophene-2,5-dicarboxylic acid diesters and tetrahydrothiophene-2,5-dicarboxylic acid diesters SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1990-09-19 EP disclosed