SCHEMBL10901043

SCHEMBL10901043

CCOC(=O)C1CSc2ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.46
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 4/20 0.39
ERN1 O75460 1/20 0.38
BCL2 P10415 1/20 0.38
TSHR P16473 4/20 0.37
TP53 P04637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36

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
SCHEMBL10898219 0.84 LMNA (0.45) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL10896122 0.80 TSHR (0.45) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL13262102 0.80 HSD17B3 (0.35) MEN1KMT2APOLBALDH1A1HSD17B10
SCHEMBL10900104 0.73 BCL2 (0.47) TDP2MEN1KMT2APOLBALDH1A1
SCHEMBL10898325 0.73 PTGDR2 (0.38) TDP2MEN1KMT2APOLBALDH1A1
SCHEMBL19417383 0.72 KMT2A (0.55) TDP2MEN1KMT2APOLBALDH1A1
SCHEMBL8793456 0.71 LMNA (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL13663740 0.69 KDM4E (0.39) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL19417356 0.69 ALDH1A1 (0.51) TDP2MEN1KMT2APOLBALDH1A1
SCHEMBL10382671 0.69 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4EHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0117675-B1 BENZOFURAN AND BENZOTHIOPHENE-CARBOXYLIC-ACID DERIVATIVES BEECHAM GROUP PLC (GB) 1986-07-23 EP disclosed
US-4548948-A Anti-inflammatory and analgesic benzothiophene and benzafuran derivatives, compositions, and method of use therefor BEECHAM GROUP P.L.C. (GB) 1985-10-22 US disclosed
EP-0117675-A1 Benzofuran and benzothiophene-carboxylic-acid derivatives BEECHAM GROUP PLC (GB) 1984-09-05 EP disclosed