SCHEMBL28122001

SCHEMBL28122001

COc1ccc(C[C]=O)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
DBH P09172 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
MAPK1 P28482 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
OPRK1 P41145 1/20 0.42

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
SCHEMBL911100 0.83 CA2 (0.61) SMN1; SMN2HTTALDH1A1KDM4ELMNA
SCHEMBL10947297 0.83 MAPT (0.44) MAPTSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL150589 0.82 MAPT (0.50) MAPTSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL9165578 0.80 CRHBP (0.46) MAPTSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL5068435 0.79 MAPT (0.54) MAPTSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL11579051 0.79 KMT2A (0.51) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL910732 0.79 CYP1A2 (0.62) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL2500053 0.77 MAPT (0.56) MAPTSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL580639 0.77 MAPT (0.56) MAPTSMN1; SMN2L3MBTL1HTTALDH1A1
SCHEMBL29463290 0.77 MAPT (0.56) MAPTSMN1; SMN2L3MBTL1HTTALDH1A1

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-106432234-A Method for preparing 1-phenylacetyl-beta-carboline derivatives 中国药科大学 2017-02-22 CN disclosed