SCHEMBL28077336

SCHEMBL28077336

Cc1cc(F)ccc1-c1nc(O)c(O)s1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.39
TRPM8 Q7Z2W7 9/20 0.38
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
ALOX5 P09917 1/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL28831133 0.80 CA3 (0.39) TRPM8ALOX5LMNA
SCHEMBL28077397 0.77 GRM2 (0.37) ESR2ESR1ALOX5MAPT
SCHEMBL28077415 0.76 TRPM8 (0.50) TRPM8ALOX5LMNAMAPT
SCHEMBL14960141 0.74 TLR8 (0.39) HDAC9MAPTHSP90AB1
SCHEMBL3436697 0.74 MAPT (0.41) HDAC9LMNAMAPT
SCHEMBL19936382 0.73 HDAC9 (0.39) HDAC9LMNAMAPTHSP90AB1
SCHEMBL3436650 0.73 SMN1; SMN2 (0.54) HDAC9MAPT
SCHEMBL31120341 0.72 MAPT (0.57) LMNAMAPT
SCHEMBL16806003 0.72 ALOX5 (0.42) HDAC9ALOX5
SCHEMBL28077209 0.72 ALOX5 (0.62) TRPM8ALOX5

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