SCHEMBL6904108

SCHEMBL6904108

CNC(=O)Cn1nc(-c2cccc(C3(NS(=O)(=O)CC(F)(F)F)COC3)c2)cc1Oc1ccc(C)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
MAPT P10636 3/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
POLB P06746 2/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL14718270 0.94 RAF1 (0.32) LMNAMAPT
SCHEMBL6902447 0.85 ALPL (0.39)
SCHEMBL14718043 0.84 GRIN2B (0.32) MEN1KMT2APOLB
SCHEMBL1658570 0.83 MMP2 (0.31)
SCHEMBL14718030 0.82 LMNA (0.41) LMNAMEN1KMT2APOLBTP53
SCHEMBL1660140 0.81 SCN9A (0.35) LMNA
SCHEMBL14727922 0.80 NTRK1 (0.33) KMT2A
SCHEMBL14727921 0.80 ALPL (0.42)
SCHEMBL14727927 0.79 CXCR1 (0.34) LMNA
SCHEMBL14718186 0.79 GRIN1 (0.37)

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
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 WO disclosed