SCHEMBL22019711

SCHEMBL22019711

CC(C)c1ncc(N)cc1N

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.32
RRM2 P31350 1/20 0.32
CASP1 P29466 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
SCHEMBL38655755 0.80 NOS3 (0.37) UHRF1
SCHEMBL22725617 0.80 NOS3 (0.37) UHRF1
SCHEMBL24126875 0.80 ALDH1A1 (0.41) UHRF1
SCHEMBL14145764 0.80 NOS3 (0.45) UHRF1
SCHEMBL18865684 0.78 ALDH1A1 (0.31) UHRF1
SCHEMBL12248257 0.78 IDO1 (0.35)
SCHEMBL31188331 0.78 MEN1 (0.33)
SCHEMBL20099831 0.78 HTT (0.43) UHRF1
SCHEMBL23510806 0.75 P2RX3 (0.40)
SCHEMBL25181915 0.74 GCGR (0.34)

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-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed