SCHEMBL6236884

SCHEMBL6236884

COc1cc(CNC(C)c2ncc(C)s2)ccc1OCc1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.43
GAA P10253 1/20 0.43
HTT P42858 2/20 0.41
RAB9A P51151 2/20 0.41
CTSA P10619 7/20 0.41
GUCY1B2 O75343 1/20 0.41
GUCY1A2 P33402 1/20 0.41
GUCY1A1 Q02108 1/20 0.41
GUCY1B1 Q02153 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3CG P48736 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL6231703 0.86 LMNA (0.53) SMN1; SMN2KMT2AMEN1GAARAB9A
SCHEMBL6231706 0.86 LMNA (0.53) SMN1; SMN2KMT2AMEN1GAARAB9A
SCHEMBL6233372 0.85 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1GAAHTT
SCHEMBL6235475 0.85 MTNR1A (0.46) SMN1; SMN2HTTRAB9ACTSANPC1
SCHEMBL6276107 0.85 MTNR1A (0.46) SMN1; SMN2HTTRAB9ACTSANPC1
SCHEMBL6233373 0.84 CD274 (0.42) CTSAGUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL6236909 0.80 NTRK1 (0.41) SMN1; SMN2KMT2AMEN1GAARAB9A
SCHEMBL6254676 0.79 PDCD1 (0.41) SMN1; SMN2KMT2AMEN1GAAHTT
SCHEMBL6254681 0.79 PDCD1 (0.41) SMN1; SMN2KMT2AMEN1GAAHTT
SCHEMBL6236888 0.79 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1HTTRAB9A

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