SCHEMBL8003571

SCHEMBL8003571

Cc1c(CO)ccc2c(O)cc(-c3csc(C(F)(F)F)n3)nc12

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TACR2 P21452 3/20 0.31
TACR3 P29371 3/20 0.31
TACR1 P25103 2/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
ADRB3 P13945 1/20 0.30

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
SCHEMBL8006166 0.87 RORC (0.31)
SCHEMBL15216114 0.81 GAA (0.38) MEN1KMT2A
SCHEMBL12708305 0.79 TYR (0.48) MEN1KMT2A
SCHEMBL3797063 0.75 GAA (0.37) MEN1KMT2A
SCHEMBL7996164 0.69 RAB9A (0.37) MEN1KMT2A
SCHEMBL12708298 0.69 TYR (0.47) MEN1KMT2A
SCHEMBL12708307 0.68 TYR (0.48) MEN1KMT2A
SCHEMBL15216089 0.67 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL12708302 0.67 TYR (0.47) MEN1KMT2A
SCHEMBL10118822 0.67 DHODH (0.38) KMT2A

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-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed