SCHEMBL7429124

SCHEMBL7429124

CCOC(=O)CC(=O)CSc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 6/20 0.50
MAPT P10636 6/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
HSD17B10 Q99714 4/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 2/20 0.45

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
SCHEMBL9751601 0.88 HSD17B10 (0.59) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL11539971 0.87 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL1722192 0.85 MEN1 (0.54) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL28571148 0.85 HSD17B10 (0.55) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL6421307 0.84 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL19630686 0.84 KMT2A (0.58) ALDH1A1MAPTKMT2AMEN1HDAC3
SCHEMBL10366553 0.82 NCOA1 (0.52) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL20661399 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL7651344 0.78 HSP90AA1 (0.51) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL2378422 0.77 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1

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
CN-108264509-B Substituted benzothieno [2,3-c ] tetrahydropyridine derivatives, preparation method and application thereof 复旦大学 2021-05-04 CN disclosed
EP-0375451-A2 Compounds having a renin-inhibiting activity BEECHAM GROUP PLC (GB) 1990-06-27 EP disclosed
EP-0350163-A2 Renin inhibitory peptides BEECHAM GROUP PLC (GB) 1990-01-10 EP disclosed