SCHEMBL8918357

SCHEMBL8918357

O=S(=O)(Nn1nc(C(F)F)c2ccc3c4c(ccc3c21)OCO4)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1B1 Q16678 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
CYP1A1 P04798 1/20 0.33
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
DRD3 P35462 2/20 0.32
BAD Q92934 1/20 0.32

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
SCHEMBL8920824 0.77 SLC40A1 (0.37) POLBHTTALDH1A1GAA
SCHEMBL8918176 0.74 CCR3 (0.36) MEN1HTTKMT2ACYP1A2
SCHEMBL8917696 0.74 GAA (0.39) HPGDPOLBMEN1KMT2AALDH1A1
SCHEMBL8918039 0.74 HSD17B1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL8917377 0.73 ALDH1A1 (0.36) KMT2AALDH1A1
SCHEMBL8916155 0.73 HTR6 (0.36) HPGDPOLBMEN1MAPTHTT
SCHEMBL8919657 0.73 PTGS2 (0.41) PTGS1PTGS2
SCHEMBL8916300 0.71 MEN1 (0.39) POLBMEN1MAPTKMT2AGAA
SCHEMBL8917789 0.71 HTR6 (0.38) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL8917402 0.70 SLC40A1 (0.40) MEN1KMT2AMMP2MMP3

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
US-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed