SCHEMBL29016571

SCHEMBL29016571

CC(C)n1c(Cc2ccc(O)cc2)nc2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RORC P51449 1/20 0.35
MET P08581 1/20 0.34

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
SCHEMBL29016631 0.84 RORC (0.46) CNR2RORC
SCHEMBL29016550 0.83 RORC (0.40) PPARGLMNARORC
SCHEMBL29016642 0.82 MEN1 (0.41) CNR2POLBMEN1KMT2ARAB9A
SCHEMBL29016636 0.74 KDM4E (0.40) MEN1KMT2ALMNARAB9AHTT
SCHEMBL29016565 0.74 RORC (0.50) CNR2RORC
SCHEMBL30370131 0.74 RORC (0.50) CNR2RORC
SCHEMBL4529355 0.72 MEN1 (0.36) CNR2POLBMEN1KMT2ALMNA
SCHEMBL15552105 0.72 TP53 (0.42) PPARGMEN1KMT2ALMNANPSR1
SCHEMBL14247220 0.71 DHFR (0.41) MEN1KMT2ALMNARAB9AHTT
SCHEMBL12853410 0.71 FABP4 (0.48) MEN1KMT2ALMNARAB9A

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-108689942-B Nitrogen-containing bicyclic compound, and preparation method and application thereof 广东东阳光药业有限公司 2023-06-09 CN disclosed