SCHEMBL6236777

SCHEMBL6236777

COc1cc(OCc2c(F)cccc2Cl)cc(OC)c1CNCCc1ncc(C)s1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
CD274 Q9NZQ7 7/20 0.40
KMT2A Q03164 6/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
MEN1 O00255 5/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
EGFR P00533 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDCD1 Q15116 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
SCHEMBL6233378 0.93 CD274 (0.43) CD274KMT2AMEN1KDM4EALDH1A1
SCHEMBL6235445 0.90 SMN1; SMN2 (0.44) SMN1; SMN2CD274KMT2AGPBAR1MEN1
SCHEMBL6235523 0.89 SMN1; SMN2 (0.43) SMN1; SMN2CD274KMT2AGPBAR1MEN1
SCHEMBL6231785 0.85 SMN1; SMN2 (0.39) SMN1; SMN2KMT2AMEN1LMNAKDM4E
SCHEMBL6233374 0.83 SMN1; SMN2 (0.53) SMN1; SMN2CD274KMT2AMEN1LMNA
SCHEMBL6233515 0.82 BCHE (0.41) SMN1; SMN2CD274KMT2AMEN1LMNA
SCHEMBL6233779 0.82 CD274 (0.49) SMN1; SMN2CD274KMT2AMEN1LMNA
SCHEMBL6232102 0.80 CTSA (0.44) CD274
SCHEMBL6236773 0.80 CTSA (0.41) SMN1; SMN2CD274KMT2AGPBAR1PDCD1
SCHEMBL6236888 0.79 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1LMNATAAR1

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