SCHEMBL6598747

SCHEMBL6598747

O=S(=O)(N[C@H]1CC[C@@H](c2ccc(O)cc2O)CC1)c1cc(F)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.44
HTR7 P34969 5/20 0.44
DRD2 P14416 5/20 0.43
HTR6 P50406 3/20 0.43
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DPP4 P27487 5/20 0.40
KCNH2 Q12809 4/20 0.40
DPP7 Q9UHL4 4/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
LMNA P02545 2/20 0.40
ACLY P53396 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL5366940 0.91 DPP4 (0.49) KMT2ATDP1DPP4KCNH2DPP7
SCHEMBL5366944 0.91 DPP4 (0.49) KMT2ATDP1DPP4KCNH2DPP7
SCHEMBL5356347 0.84 KMT2A (0.48) HTR1AHTR7DRD2KMT2ATDP1
SCHEMBL6599031 0.84 KMT2A (0.48) HTR1AHTR7DRD2KMT2ATDP1
SCHEMBL5356341 0.84 KMT2A (0.48) HTR1AHTR7DRD2KMT2ATDP1
SCHEMBL5355689 0.84 HSD17B1 (0.41) DRD2ADRA1DADRA1AADRA1BKMT2A
SCHEMBL5355687 0.84 HSD17B1 (0.41) DRD2ADRA1DADRA1AADRA1BKMT2A
SCHEMBL5359472 0.81 KMT2A (0.40) HTR1AHTR7DRD2HTR6ADRA1D
SCHEMBL5359477 0.81 KMT2A (0.40) HTR1AHTR7DRD2HTR6ADRA1D
SCHEMBL5363005 0.80 KMT2A (0.52) HTR7DRD2HTR6KMT2ATDP1

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
EP-1317425-B1 RESORCINOL DERIVATIVES PFIZER PROD INC (US) 2004-11-03 EP disclosed