SCHEMBL30286404

SCHEMBL30286404

Cc1cc(Br)c2oc3ccccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.46
MAOB P27338 3/20 0.41
MAOA P21397 3/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 2/20 0.37
TTR P02766 1/20 0.37
PGR P06401 1/20 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
SCHEMBL24086751 1.00 AHR (0.46) AHRMAOBMAOACYP2C19KDM4E
SCHEMBL31671127 0.81 AHR (0.49) AHRMAOAKDM4EMEN1ALDH1A1
SCHEMBL12799786 0.81 TTR (0.49) AHRMAOBMAOAKDM4EMEN1
SCHEMBL2412683 0.81 AHR (0.49) AHRMAOAKDM4EMEN1ALDH1A1
SCHEMBL19803043 0.80 LOXL2 (0.41) AHRMAOBMAOAALDH1A1ALOX5
SCHEMBL20726239 0.79 AHR (0.46) AHRMAOBMAOACYP2C19KDM4E
SCHEMBL23340144 0.79 AHR (0.46) AHRMAOBMAOAKDM4EMEN1
SCHEMBL5951377 0.79 ESR2 (0.50) AHRMAOACYP2C19KDM4EMEN1
SCHEMBL17987528 0.79 MAPT (0.55) AHRMAOAKDM4EMEN1ALDH1A1
SCHEMBL30018586 0.79 AHR (0.54) AHRKDM4EMEN1ALDH1A1KMT2A

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-115873041-A Organic electroluminescent material and device 环球展览公司 2023-03-31 CN disclosed