SCHEMBL9569773

SCHEMBL9569773

CC=Cc1c(O)cccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
TTR P02766 1/20 0.38
PTK6 Q13882 1/20 0.38
CNR2 P34972 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HSP90AA1 P07900 1/20 0.35
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
EGFR P00533 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 2/20 0.33
FYN P06241 2/20 0.33
MMP9 P14780 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
RECQL P46063 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL9742937 0.84 TTR (0.50) TTRCNR2NPC1RAB9AALDH1A1
SCHEMBL9742941 0.84 TTR (0.50) TTRCNR2NPC1RAB9AALDH1A1
SCHEMBL31507116 0.77 MAOB (0.41) MAOBTTRPTK6MEN1KMT2A
SCHEMBL9875977 0.77 IAPP (0.40) TTRCNR2RAB9AALDH1A1TDP1
SCHEMBL9281951 0.77 IAPP (0.40) TTRCNR2RAB9AALDH1A1TDP1
SCHEMBL10765760 0.77 TRPA1 (0.48) TTRCNR2MEN1KMT2AALDH1A1
SCHEMBL10767153 0.77 TRPA1 (0.48) TTRCNR2MEN1KMT2AALDH1A1
SCHEMBL31732969 0.75 KMT2A (0.41) MAOBMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL31071896 0.75 MAOB (0.58) MAOBTTRPTK6MEN1KMT2A
SCHEMBL21224294 0.75 MAOB (0.58) MAOBTTRPTK6MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560554-A2 Antitumor compositions and methods of treatment ELI LILLY AND COMPANY (US) 1993-09-15 EP disclosed
US-5169860-A Benzofuran or benzothiophene arylsulfonylureas ELI LILLY AND COMPANY (US) 1992-12-08 US disclosed