SCHEMBL9865054

SCHEMBL9865054

CC1CSc2occc2C(=O)C1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
PBRM1 Q86U86 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
STAT3 P40763 1/20 0.30

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
SCHEMBL9866436 0.76 KDM4E (0.43) ALDH1A1PBRM1
SCHEMBL22905751 0.72 HTR2C (0.43) ALDH1A1MAPTPBRM1MEN1LMNA
SCHEMBL9143961 0.70 ALDH1A1 (0.41) ALDH1A1MAPTPOLBSTAT3
SCHEMBL9864191 0.69 VHL (0.41) ALDH1A1HTT
SCHEMBL9864692 0.67 CA2 (0.32)
SCHEMBL9865613 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9866122 0.65 POLB (0.30) POLB
SCHEMBL762215 0.60
SCHEMBL15606100 0.58 HTR2C (0.39) ALDH1A1MAPTLMNAKMT2ASTAT3
SCHEMBL13677130 0.58 ACHE (0.46) POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045561-A Substituted furan sulfonamides as antiglaucoma agents MERCK & CO., INC. (US) 1991-09-03 US disclosed