SCHEMBL6236938

SCHEMBL6236938

CCN(CC)CCNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.63
USP2 O75604 1/20 0.60
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.55
GFER P55789 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.51
PKM P14618 1/20 0.51
CACNA1H O95180 1/20 0.49
CACNA1B Q00975 1/20 0.49

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
SCHEMBL6034681 0.78 SIGMAR1 (1.00) SIGMAR1USP2ALDH1A1MAPK1GFER
SCHEMBL1674212 0.77 SIGMAR1 (0.74) SIGMAR1USP2ALDH1A1MAPK1GFER
SCHEMBL3324949 0.77 SIGMAR1 (0.74) SIGMAR1USP2ALDH1A1MAPK1GFER
SCHEMBL9510691 0.77 SIGMAR1 (1.00) SIGMAR1USP2ALDH1A1MAPK1GFER
SCHEMBL3712996 0.76 SIGMAR1 (0.73) SIGMAR1USP2ALDH1A1MAPK1GFER
SCHEMBL6337882 0.76 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KMT2AMEN1PKM
SCHEMBL4616164 0.76 SFRP1 (0.54) SIGMAR1ALDH1A1MAPK1GFERSMN1; SMN2
SCHEMBL14046920 0.74 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KMT2AMEN1PKM
SCHEMBL1148907 0.74 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KMT2AMEN1PKM
SCHEMBL3974097 0.74 SIGMAR1 (0.69) SIGMAR1USP2ALDH1A1MAPK1GFER

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