SCHEMBL18994292

SCHEMBL18994292

OC1/C(=C/c2ccccc2)C(Br)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GUSB P08236 4/20 0.45
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 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
SCHEMBL18994284 0.73 GUSB (0.41) GUSBMAOAMAOB
SCHEMBL18994272 0.68 DUSP1 (0.52) GUSBALDH1A1HPGD
SCHEMBL18994264 0.67 DUSP1 (0.54) GUSBALDH1A1
SCHEMBL3701762 0.67 DUSP1 (0.54) GUSBALDH1A1
SCHEMBL3701763 0.67 DUSP1 (0.54) GUSBALDH1A1
SCHEMBL3628239 0.64 MAOA (0.60) ALDH1A1MAOAMAOBKDM4EHPGD
SCHEMBL31124667 0.64 MEN1 (0.35) ALDH1A1MAOAMAOBKDM4EHPGD
SCHEMBL29638852 0.64 MAOA (0.60) ALDH1A1MAOAMAOBKDM4EHPGD
SCHEMBL29503343 0.64 MAOA (0.60) ALDH1A1MAOAMAOBKDM4EHPGD
SCHEMBL18994291 0.62 CAMK2A (0.46) GUSBMAOAMAOB

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
US-9682919-B2 Small molecule inhibitors of Dusp6 and uses therefor University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-06-20 US disclosed