SCHEMBL28208024

SCHEMBL28208024

COc1c[c]c(-c2ccc(Br)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
RAB9A P51151 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
MAPK1 P28482 2/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
GAA P10253 2/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A1 P68400 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 3/20 0.36

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
SCHEMBL8591645 0.88 CA1 (0.48) KMT2ARAB9AMAPTMAPK1MAOB
SCHEMBL28904555 0.81 APP (0.41) KMT2ARAB9AMAPTMAPK1NPC1
SCHEMBL1420029 0.81 ESR2 (0.59) MEN1KMT2ARAB9AMAPTMAPK1
SCHEMBL6417992 0.81 CA4 (0.44) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL28150942 0.79 ESR2 (0.48) RAB9AMAPTMAPK1MAOBNPC1
SCHEMBL177569 0.75 MEN1 (0.59) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL28157776 0.75 APP (0.55) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL7123909 0.74 HPGD (0.42) RAB9AMAOBNPC1HPGDALDH1A1
SCHEMBL4468568 0.73 MEN1 (0.40) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL1420156 0.73 MAOB (0.50) MEN1KMT2ARAB9ANPSR1MAPT

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-105348060-B A kind of preparation method of 1,2 derovatives 江苏强盛功能化学股份有限公司 2018-03-27 CN disclosed