SCHEMBL6233372

SCHEMBL6233372

Cc1cnc(C(C)NCc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
CD274 Q9NZQ7 5/20 0.40
DHODH Q02127 2/20 0.39
GUCY1B2 O75343 1/20 0.39
GUCY1A2 P33402 1/20 0.39
GUCY1A1 Q02108 1/20 0.39
GUCY1B1 Q02153 1/20 0.39
CTSA P10619 4/20 0.38
ROS1 P08922 1/20 0.37
ALK Q9UM73 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL6254681 0.88 PDCD1 (0.41) SMN1; SMN2KMT2AMEN1GAACD274
SCHEMBL6254676 0.88 PDCD1 (0.41) SMN1; SMN2KMT2AMEN1GAACD274
SCHEMBL6236884 0.85 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1GAAGUCY1B2
SCHEMBL6233689 0.84 CD274 (0.45) SMN1; SMN2KMT2AMEN1CD274CTSA
SCHEMBL6236773 0.83 CTSA (0.41) SMN1; SMN2KMT2ACD274CTSA
SCHEMBL6231782 0.81 MAOB (0.43) SMN1; SMN2KMT2AMEN1GUCY1B2GUCY1A2
SCHEMBL6235441 0.80 GPBAR1 (0.40) SMN1; SMN2KMT2AMEN1GAACD274
SCHEMBL6252802 0.80 GPBAR1 (0.40) SMN1; SMN2KMT2AMEN1GAACD274
SCHEMBL6233374 0.80 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMEN1GAACD274
SCHEMBL6235284 0.79 PTPRZ1 (0.37) CD274

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed