SCHEMBL29168641

SCHEMBL29168641

CC(=O)Nc1cccc2c1CN(C(=O)c1c(O)cc(O)cc1OCc1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.47
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
CYP19A1 P11511 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR183 P32249 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SPR P35270 1/20 0.38

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
SCHEMBL29168554 0.92 BRD4 (0.49) BRD4CYP19A1MEN1KMT2A
SCHEMBL30155708 0.91 TMEM97 (0.42) BRD4TMEM97SIGMAR1PTGDR2L3MBTL1
SCHEMBL24914220 0.91 TMEM97 (0.42) BRD4TMEM97SIGMAR1PTGDR2L3MBTL1
SCHEMBL30155743 0.87 TMEM97 (0.38) TMEM97SIGMAR1PTGDR2L3MBTL1GPR183
SCHEMBL24913891 0.87 TMEM97 (0.38) TMEM97SIGMAR1PTGDR2L3MBTL1GPR183
SCHEMBL24914219 0.86 PTGDR2 (0.38) TMEM97SIGMAR1PTGDR2L3MBTL1GPR183
SCHEMBL24914227 0.86 PTGDR2 (0.40) TMEM97SIGMAR1PTGDR2L3MBTL1KMT2A
SCHEMBL30155768 0.86 PTGDR2 (0.40) TMEM97SIGMAR1PTGDR2L3MBTL1KMT2A
SCHEMBL30155614 0.86 PTGDR2 (0.38) TMEM97SIGMAR1PTGDR2L3MBTL1GPR183
SCHEMBL24914229 0.86 NSD2 (0.40) BRD4TMEM97SIGMAR1PTGDR2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN claimed
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 CN disclosed