SCHEMBL20074308

SCHEMBL20074308

CC(C)c1c(-c2ccc(N3CC[S+]([O-])CC3)cc2)[nH]c2ncnn2c1=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 11/20 0.40
TSHR P16473 1/20 0.33
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL20074310 0.88 KDM5B (0.49) KDM5BTSHRTLR9TLR8TLR7
SCHEMBL20074255 0.87 KDM5B (0.50) KDM5BTSHRTLR9TLR8TLR7
SCHEMBL20074325 0.87 KDM5B (0.52) KDM5BTLR9TLR8TLR7
SCHEMBL21681721 0.86 KDM5B (0.51) KDM5BTLR9TLR8TLR7
SCHEMBL21721725 0.86 KDM5B (0.51) KDM5BTLR9TLR8TLR7
SCHEMBL20074307 0.85 KDM5B (0.52) KDM5BTLR9TLR8TLR7
SCHEMBL21720956 0.84 KDM5B (0.53) KDM5BTLR9TLR8TLR7
SCHEMBL20074312 0.79 KDM5B (0.49) KDM5BTSHR
SCHEMBL20074303 0.78 CCNB2 (0.47) KDM5BTSHR
SCHEMBL20074328 0.78 KDM5B (0.44) KDM5BTSHR

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-2018071283-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-04-19 WO disclosed