SCHEMBL21612930

SCHEMBL21612930

CC(=O)OOc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
LDHA P00338 1/20 0.44
MAOB P27338 4/20 0.43
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP1A2 P05177 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAOA P21397 3/20 0.39
CA1 P00915 2/20 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
SCHEMBL28599111 0.98 MEN1 (0.46) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL8586307 0.80 CES2 (0.52) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL6200881 0.80 MEN1 (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL10438873 0.80 LMNA (0.61) LMNAMAPTMAOBALDH1A1TSHR
SCHEMBL156135 0.78 HPGD (0.47) MEN1KMT2ALMNAMAPTMAOB
SCHEMBL7869484 0.78 MAPT (0.61) KMT2ALMNAMAPTRAB9ANPSR1
SCHEMBL3725791 0.78 MAOB (0.43) LMNAMAOBALDH1A1CES2CES1
SCHEMBL11300560 0.78 LDHA (0.44) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL9510016 0.78 TDP1 (0.44) LMNAMAPTRAB9AMAPK1ALDH1A1
SCHEMBL3364623 0.78 LMNA (0.59) LMNAMAPTMAOBALDH1A1TSHR

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-2020009176-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF 田辺三菱製薬株式会社 2020-01-09 WO disclosed