SCHEMBL24645017

SCHEMBL24645017

Cc1cc(OCc2ncccn2)cc(=O)n1[C@H](C)c1ccc(C#Cc2ncccn2)cc1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.33
TP53 P04637 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
HAO1 Q9UJM8 1/20 0.31
IDH1 O75874 1/20 0.31
FFAR1 O14842 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
SCHEMBL24645036 0.91 TP53 (0.33) ACACBTP53IDH1FFAR1
SCHEMBL24644928 0.90 TP53 (0.33) ACACBTP53IDH1
SCHEMBL24644661 0.89 TP53 (0.32) ACACBTP53IDH1
SCHEMBL24644660 0.87 TP53 (0.34) TP53PTGDR2IDH1FFAR1
SCHEMBL24645112 0.87 KDM4E (0.38) TP53FFAR1
SCHEMBL24644659 0.87 TP53 (0.31) ACACBTP53
SCHEMBL24644808 0.86 BACE1 (0.34) TP53
SCHEMBL24644643 0.86 HCRTR2 (0.36) TP53IDH1
SCHEMBL24644929 0.86 HCRTR2 (0.36) TP53IDH1
SCHEMBL27354517 0.85 IDH1 (0.34) TP53PTGDR2IDH1FFAR1

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-2022167445-A1 GPR84 ANTAGONISTS AND USES THEREOF Liminal Biosciences Limited (GB) 2022-08-11 WO disclosed