SCHEMBL31222018

SCHEMBL31222018

COC(=O)c1cc2cc(OC)cc(Br)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.44
PTPN2 P17706 1/20 0.44
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CSNK2A2 P19784 1/20 0.39
KDR P35968 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
HDAC1 Q13547 1/20 0.38
CLK1 P49759 5/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 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
SCHEMBL31550100 0.87 PTPN2 (0.43) OPRD1PTPN2HPGDALDH1A1KDM4E
SCHEMBL31550095 0.87 PTPN2 (0.43) OPRD1PTPN2HPGDALDH1A1KDM4E
SCHEMBL12135685 0.84 XDH (0.49) OPRD1PTPN2HPGDALDH1A1KDM4E
SCHEMBL1356266 0.80 PTPN2 (0.49) PTPN2HPGDALDH1A1KDM4EMAPT
SCHEMBL1091054 0.78 HPGD (0.54) OPRD1PTPN2HPGDALDH1A1KDM4E
SCHEMBL27191891 0.77 PTPN2 (0.43) OPRD1PTPN2HPGDALDH1A1KDM4E
SCHEMBL20562942 0.77 PTPN2 (0.46) OPRD1PTPN2HPGDALDH1A1KDM4E
SCHEMBL17842906 0.76 MAPT (0.52) OPRD1PTPN2HPGDALDH1A1KDM4E
SCHEMBL18541436 0.75 HPGD (0.43) OPRD1PTPN2HPGDALDH1A1KDM4E
SCHEMBL18490302 0.75 OPRD1 (0.44) OPRD1PTPN2HPGDALDH1A1KDM4E

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-2024232599-A1 NOVEL BENZOTHIOPHENE DERIVATIVE INHIBITING BET PROTEIN AND COMPOSITION FOR TREATMENT OF CANCER, USING SAME 주식회사 베노바이오 2024-11-14 WO disclosed