SCHEMBL486302

SCHEMBL486302

O=S(=O)(c1ccc(C(F)(F)F)cc1)N1Cc2cnn(C3CC3)c2-c2cc(F)c(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 8/20 0.46
▸ PSEN2 P49810 8/20 0.46
▸ APH1B Q8WW43 8/20 0.46
▸ NCSTN Q92542 8/20 0.46
▸ APH1A Q96BI3 8/20 0.46
▸ PSENEN Q9NZ42 8/20 0.46
▸ GAA P10253 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ KDM2B Q8NHM5 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ AKR1C3 P42330 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
SCHEMBL2702636 0.73 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL485993 0.67 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL485991 0.67 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL486220 0.64 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2705675 0.64 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2705670 0.64 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL486044 0.63 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL486046 0.63 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29573794 0.63 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2219745 0.62 ACHE (0.54) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411388-A2 PROCESS FOR THE PRODUCTION OF FUSED, TRICYCLIC SULFONAMIDES Elan Pharmaceuticals Inc. (US) 2012-02-01 — — EP disclosed
WO-2010111418-A2 PROCESS FOR THE PRODUCTION OF FUSED, TRICYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2010-09-30 — — WO disclosed
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