SCHEMBL28077481

SCHEMBL28077481

Cc1cccc(-c2nc(O)c(O)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.53
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX5 P09917 1/20 0.47
ADORA3 P0DMS8 1/20 0.47

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
SCHEMBL28077371 0.79 TRPM8 (0.64) TRPM8
SCHEMBL28831015 0.78 ALOX5 (0.62) TRPM8ALOX5
SCHEMBL13801071 0.78 ADORA3 (0.59) TRPM8MEN1ALDH1A1KMT2AADORA3
SCHEMBL1954805 0.77 ALOX5 (0.56) TRPM8MEN1ALDH1A1KMT2AALOX5
SCHEMBL28077379 0.77 ALOX5 (0.41) ALOX5
SCHEMBL17374826 0.76 TRPM8 (0.74) TRPM8MEN1KMT2A
SCHEMBL4153015 0.75 KMT2A (0.53) TRPM8MEN1ALDH1A1KMT2AADORA3
SCHEMBL28077214 0.73 KMO (0.40) TRPM8ALOX5
SCHEMBL12875931 0.72 ALDH1A1 (0.46) TRPM8MEN1ALDH1A1KMT2AADORA3
SCHEMBL12875924 0.72 LMNA (0.54) TRPM8MEN1ALDH1A1KMT2AADORA3

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
CN-104334544-B Benzimidazole proline derivative 埃科特莱茵药品有限公司 2016-10-19 CN disclosed