SCHEMBL5496963

SCHEMBL5496963

CNC(=O)c1cc(C(=O)Nc2cnc(C)c(C(=O)Nc3ccc(OCc4ccccn4)cc3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.44
SMO Q99835 10/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4408412 0.93 MAPK14 (0.44) MAPK14SMOPOLBMAPTSMN1; SMN2
SCHEMBL4408195 0.93 PARP10 (0.48) MAPK14SMOPOLBMAPTSMN1; SMN2
SCHEMBL14534669 0.91 MAPK14 (0.44) MAPK14SMOPOLBMAPTSMN1; SMN2
SCHEMBL4416216 0.91 MAPK14 (0.53) MAPK14SMOMAPTKCNH2
SCHEMBL4410077 0.90 MAPK14 (0.43) MAPK14SMOPOLBMAPTSMN1; SMN2
SCHEMBL14534691 0.86 PARP10 (0.45) MAPK14SMOPOLBMAPTSMN1; SMN2
SCHEMBL4413435 0.86 MAPK14 (0.47) MAPK14POLBMAPTSMN1; SMN2
SCHEMBL4410922 0.84 MAPT (0.49) MAPK14SMOPOLBMAPTSMN1; SMN2
SCHEMBL4417658 0.82 MAPT (0.42) MAPK14SMOMAPTSMN1; SMN2KCNH2
SCHEMBL4417279 0.81 MAPT (0.41) MAPK14SMOMAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed