SCHEMBL9548058

SCHEMBL9548058

CSc1cc(C(=O)CBr)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.52
TAS1R3 Q7RTX0 3/20 0.49
TAS1R1 Q7RTX1 3/20 0.49
PTPN1 P18031 6/20 0.46
GNG2 P59768 1/20 0.40
GNB1 P62873 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11808909 0.86 GSK3B (0.52) GSK3BTAS1R3TAS1R1PTPN1GNG2
SCHEMBL10651588 0.83 PTPN1 (0.48) GSK3BPTPN1GNG2GNB1MEN1
SCHEMBL30187429 0.80 GSK3B (0.61) GSK3BPTPN1MEN1KMT2AL3MBTL1
SCHEMBL1726590 0.80 GSK3B (0.61) GSK3BPTPN1MEN1KMT2AL3MBTL1
SCHEMBL10807506 0.79 GSK3B (0.51) GSK3BPTPN1MEN1KMT2ATHRA
SCHEMBL701970 0.78 TAS1R3 (0.50) TAS1R3TAS1R1MEN1KMT2AL3MBTL1
SCHEMBL9548004 0.78 TAS1R3 (0.50) TAS1R3TAS1R1KMT2AL3MBTL1
SCHEMBL6738215 0.78 GSK3B (0.50) GSK3BPTPN1
SCHEMBL29966893 0.78 PTPN1 (0.50) GSK3BPTPN1
SCHEMBL6113125 0.78 PTPN1 (0.50) GSK3BPTPN1

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
US-5198587-A Adrenergic Blocking Agents, Hypotensive Agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-03-30 US disclosed
US-5063246-A Hypotensive YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-11-05 US disclosed
US-4880841-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 US disclosed