SCHEMBL29059804

SCHEMBL29059804

Oc1ncc(C#CCOC2CCCO2)nc1Br

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.34
GRM5 P41594 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GCK P35557 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
SCHEMBL25281590 0.97 KDM4C (0.38) KDM4CGRM5MEN1KMT2AL3MBTL1
SCHEMBL25279093 0.79 GRM5 (0.36) KDM4CGRM5MEN1KMT2AL3MBTL1
SCHEMBL30460354 0.75 KDM4C (0.34) KDM4CGRM5MEN1KMT2AL3MBTL1
SCHEMBL29060012 0.75 KDM4C (0.34) KDM4CGRM5MEN1KMT2AL3MBTL1
SCHEMBL29547563 0.74 KDM4C (0.40) KDM4CGRM5MEN1KMT2AL3MBTL1
SCHEMBL29067795 0.74 KDM4C (0.40) KDM4CGRM5MEN1KMT2AL3MBTL1
SCHEMBL20120643 0.74 KDM4C (0.40) KDM4CGRM5MEN1KMT2AL3MBTL1
SCHEMBL20213850 0.74 KDM4C (0.40) KDM4CGRM5MEN1KMT2AL3MBTL1
SCHEMBL30896157 0.72 GRM5 (0.36) KDM4CGRM5MEN1KMT2AL3MBTL1
SCHEMBL30740325 0.72 KDM4C (0.36) KDM4CGRM5MEN1KMT2AL3MBTL1

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
CN-116640117-A Triazole LPAR1 antagonists and uses thereof 武汉人福创新药物研发中心有限公司 2023-08-25 CN disclosed