SCHEMBL30938635

SCHEMBL30938635

C=Cc1cnc(Br)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
PARP1 P09874 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
GRM5 P41594 1/20 0.30
UHRF1 Q96T88 1/20 0.30
PDXK O00764 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
SCHEMBL4596581 0.79 SRC (0.35) TDP1UHRF1
SCHEMBL35528 0.78 PDXK (0.39) TDP1TP53PARP1HDAC8GRM5
SCHEMBL29419055 0.78 PDXK (0.39) TDP1TP53PARP1HDAC8GRM5
SCHEMBL34470216 0.75 PARP1 (0.32) PARP1
SCHEMBL16623137 0.75 TP53 (0.33) TDP1TP53PARP1HDAC8GRM5
SCHEMBL20083747 0.75 PIK3CA (0.34) TDP1TP53PARP1HDAC8
SCHEMBL29769000 0.72 TRPA1 (0.34) TDP1TP53PARP1
SCHEMBL4226664 0.71 P4HTM (0.50) TDP1HDAC8
SCHEMBL4226657 0.71 P4HTM (0.50) TDP1HDAC8
SCHEMBL390289 0.70

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-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 WO disclosed