SCHEMBL25348129

SCHEMBL25348129

COc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.61
CYP3A4 P08684 2/20 0.56
HPGD P15428 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
PNLIP P16233 2/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
P2RX1 P51575 2/20 0.51
TMPRSS4 Q9NRS4 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
PLAU P00749 2/20 0.49
AVPR2 P30518 1/20 0.48
GPR27 Q9NS67 1/20 0.48

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
SCHEMBL25349138 0.89 TMPRSS4 (0.64) KLKB1CYP3A4HPGDALDH1A1NPC1
SCHEMBL27851999 0.81 P2RX1 (0.64) KLKB1CYP3A4HPGDALDH1A1MAPK1
SCHEMBL1562332 0.79 NPC1 (0.68) KLKB1CYP3A4HPGDALDH1A1MAPK1
SCHEMBL11324398 0.78 NPC1 (0.72) KLKB1CYP3A4HPGDALDH1A1MAPK1
SCHEMBL2272830 0.78 KLKB1 (0.69) KLKB1CYP3A4HPGDALDH1A1MAPK1
SCHEMBL25351007 0.78 P2RX1 (0.62) KLKB1NPC1RAB9APNLIPMEN1
SCHEMBL2266172 0.78 P2RX1 (0.62) KLKB1CYP3A4HPGDALDH1A1MAPK1
SCHEMBL11594959 0.76 P2RX1 (0.65) HPGDALDH1A1NPC1RAB9APNLIP
SCHEMBL27833865 0.76 FADS1 (0.81) KLKB1HPGDALDH1A1NPC1RAB9A
SCHEMBL17414618 0.76 NPC1 (0.68) KLKB1CYP3A4HPGDALDH1A1MAPK1

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-2023149548-A1 NOVEL PHARMACEUTICAL COMPOSITION 国立大学法人富山大学 2023-08-10 WO disclosed