SCHEMBL5755209

SCHEMBL5755209

N#Cc1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)C(Cc1ccc(F)cc1)CN2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 8/20 0.53
▸ FNTB P49356 8/20 0.53
▸ MAPT P10636 1/20 0.42
▸ HRAS P01112 1/20 0.42
▸ KRAS P01116 1/20 0.42
▸ PGGT1B P53609 1/20 0.42
▸ PAX8 Q06710 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ MMP8 P22894 6/20 0.40
▸ MMP3 P08254 3/20 0.40
▸ KCNA5 P22460 1/20 0.36

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
SCHEMBL6615441 0.96 FNTA (0.53) FNTAFNTBMAPTHRASKRAS
SCHEMBL6615448 0.96 FNTA (0.53) FNTAFNTBMAPTHRASKRAS
SCHEMBL5787316 0.93 FNTA (0.59) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5787326 0.93 FNTA (0.59) FNTAFNTBHRASKRASPGGT1B
SCHEMBL7674549 0.87 FNTA (0.53) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6639321 0.85 FNTA (0.51) FNTAFNTBMAPTHRASKRAS
SCHEMBL5791079 0.85 FNTA (0.59) FNTAFNTBHRASKRASPGGT1B
SCHEMBL5791085 0.85 FNTA (0.59) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6634461 0.83 FNTA (0.49) FNTAFNTBHRASKRASPGGT1B
SCHEMBL6614927 0.83 FNTA (0.49) FNTAFNTBHRASKRASPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140786-B9 REDUCTIVE ALKYLATION OF SECONDARY AMINES WITH HYDROSILANE BRISTOL MYERS SQUIBB CO (US) 2006-05-10 — — EP disclosed
EP-1140786-B1 REDUCTIVE ALKYLATION OF SECONDARY AMINES WITH HYDROSILANE BRISTOL MYERS SQUIBB CO (US) 2005-11-30 — — EP disclosed
US-6100395-A Reductive alkylation of secondary amines with hydrosilane BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-08 — — US disclosed
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