SCHEMBL6830349

SCHEMBL6830349

COC(=O)c1c(Br)cc(F)c(OC)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TAS1R2 Q8TE23 1/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
EPAS1 Q99814 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOTUM Q6P988 1/20 0.35
SOS1 Q07889 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TPMT P51580 1/20 0.34
CYP3A4 P08684 1/20 0.34
TUBB1 Q9H4B7 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL16853618 0.84 SOS1 (0.39) HPGDMAPTHSD17B10SMN1; SMN2NOTUM
SCHEMBL27302875 0.82 HPGD (0.41) HPGDMAPTHSD17B10SMN1; SMN2NOTUM
SCHEMBL31069592 0.78 POLB (0.41) TAS1R3TAS1R1TAS1R2HPGDMAPT
SCHEMBL29133051 0.78 MAPT (0.41) HPGDMAPTHSD17B10SMN1; SMN2NOTUM
SCHEMBL24717415 0.76 TPMT (0.41) HPGDMAPTHSD17B10SMN1; SMN2NOTUM
SCHEMBL19840236 0.76 HPGD (0.38) HPGDMAPTHSD17B10SMN1; SMN2NOTUM
SCHEMBL6923912 0.76 CA2 (0.43) HPGDMAPTHSD17B10TSHRTPMT
SCHEMBL18797706 0.76 CA12 (0.40) HPGDMAPTEPAS1HSD17B10NOTUM
SCHEMBL25280044 0.76 LMNA (0.40) HPGDMAPTEPAS1SMN1; SMN2NOTUM
SCHEMBL20396954 0.76 MAPT (0.41) HPGDMAPTHSD17B10SMN1; SMN2NOTUM

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-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO disclosed