SCHEMBL21116465

SCHEMBL21116465

CCc1coc2ccc(C(F)(F)F)cc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MTNR1B P49286 1/20 0.42
▸ PPARD Q03181 2/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MTNR1A P48039 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ MAOB P27338 2/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ KIF11 P52732 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
SCHEMBL18015849 0.87 MTNR1A (0.45) TP53MAPTSMN1; SMN2MTNR1BMTNR1A
SCHEMBL25037452 0.85 PON1 (0.51) TP53MAPTSMN1; SMN2MTNR1BMTNR1A
SCHEMBL18014739 0.84 TP53 (0.41) TP53MAPTSMN1; SMN2MTNR1BPPARD
SCHEMBL21116466 0.84 TP53 (0.46) TP53MAPTSMN1; SMN2MTNR1BMTNR1A
SCHEMBL16619764 0.83 TP53 (0.43) TP53MAPTSMN1; SMN2MTNR1BPPARD
SCHEMBL17107455 0.83 MAOB (0.44) TP53MAPTSMN1; SMN2MTNR1BPPARD
SCHEMBL17324189 0.80 MTNR1A (0.40) TP53MAPTSMN1; SMN2MTNR1BPPARD
SCHEMBL16629667 0.78 PON1 (0.58) MAPTSMN1; SMN2
SCHEMBL4446704 0.77 KIF11 (0.42) TP53MAPTSMN1; SMN2EPHX2MAOB
SCHEMBL13462293 0.77 PTPN1 (0.50) TP53MAPTSMN1; SMN2MTNR1A

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
EP-3052495-B1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER (US) 2019-06-26 — — EP disclosed
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