SCHEMBL6233374

SCHEMBL6233374

Cc1cnc(CCNCc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CD274 Q9NZQ7 4/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHODH Q02127 2/20 0.39
PLK1 P53350 1/20 0.39
NLRP3 Q96P20 1/20 0.38
PDCD1 Q15116 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6271865 0.88 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMEN1TAAR1CD274
SCHEMBL6236888 0.85 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1TAAR1KDM4E
SCHEMBL6233694 0.84 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AMEN1TAAR1CD274
SCHEMBL6236777 0.83 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AMEN1TAAR1CD274
SCHEMBL6231785 0.82 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1KDM4ELMNA
SCHEMBL6235445 0.80 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1TAAR1CD274
SCHEMBL6233372 0.80 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1CD274GAA
SCHEMBL6235290 0.79 PLK1 (0.40) SMN1; SMN2KMT2AMEN1TAAR1CD274
SCHEMBL6233378 0.75 CD274 (0.43) KMT2AMEN1CD274KDM4ETDP1
SCHEMBL6233816 0.74 SLC2A1 (0.51) SMN1; SMN2KMT2AMEN1CD274GAA

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