SCHEMBL7735929

SCHEMBL7735929

COc1ccc(C(=O)C(=O)c2cccc(SC)c2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
AR P10275 1/20 0.46
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
STAT3 P40763 1/20 0.43
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7090705 0.87 RAB9A (0.59) RAB9AHTTLMNAMAPK1KMT2A
SCHEMBL2894292 0.75 LMNA (0.47) RAB9AHTTLMNAMAPK1AR
SCHEMBL5520271 0.74 RAB9A (0.61) RAB9AHTTLMNAMAPK1CES2
SCHEMBL28217099 0.73 HTT (0.76) RAB9AHTTLMNAMAPK1KMT2A
SCHEMBL8050011 0.73 HTT (0.65) RAB9AHTTLMNAMAPK1KMT2A
SCHEMBL6131922 0.73 ACHE (0.71) RAB9AHTTLMNAMAPK1KMT2A
SCHEMBL6167104 0.73 HTT (0.52) RAB9AHTTLMNAMAPK1KMT2A
SCHEMBL7084274 0.72 HTT (0.51) RAB9AHTTLMNAMAPK1KMT2A
SCHEMBL31493230 0.72 HTT (1.00) RAB9AHTTLMNAMAPK1ACHE
SCHEMBL503994 0.72 HTT (1.00) RAB9AHTTLMNAMAPK1ACHE

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-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed