SCHEMBL8865006

SCHEMBL8865006

CC(C)(C)c1cc(C(=O)Cn2c3ccccc3n3ccnc23)cc(C(C)(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2R P25116 10/20 0.59
CYP3A4 P08684 2/20 0.43
MAOB P27338 2/20 0.39
ALOX5 P09917 2/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
TNFRSF1A P19438 1/20 0.37
BCHE P06276 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8567175 0.75 POLB (0.55) MEN1KMT2A
SCHEMBL2344136 0.74 F2R (1.00) F2RMEN1KMT2A
SCHEMBL2347450 0.74 F2R (0.79) F2RMEN1KMT2A
Bromide SCHEMBL6750272 0.74 F2R (0.71) F2RMEN1KMT2A
Bromide SCHEMBL2346025 0.74 F2R (0.98) F2RMEN1KMT2A
Hydrochloric Acid SCHEMBL4233098 0.74 F2R (0.98) F2RMEN1KMT2A
Hydrochloric Acid SCHEMBL21797201 0.74 F2R (0.78) F2RMEN1KMT2A
Bromide SCHEMBL2349567 0.74 F2R (0.78) F2RMEN1KMT2A
SCHEMBL6752698 0.73 F2R (0.78) F2RMAOBBCHEMAOAACHE
Bromide SCHEMBL6751180 0.72 F2R (0.82) F2RMEN1KMT2A

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-5639756-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1997-06-17 US disclosed