SCHEMBL6972715

SCHEMBL6972715

Cc1ccc(NC(=O)Oc2ccnc(N3CCOCC3)c2)cc1NC(=O)c1cccc(OC2CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.52
SMO Q99835 1/20 0.47
RAF1 P04049 5/20 0.47
BRAF P15056 5/20 0.47
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL6968599 0.96 MAPK14 (0.51) MAPK14SMORAF1BRAF
SCHEMBL6976106 0.92 MAPK14 (0.60) MAPK14SMORAF1BRAF
SCHEMBL6979521 0.90 MAPK14 (0.58) MAPK14SMORAF1BRAF
SCHEMBL6974083 0.88 MAPK14 (0.59) MAPK14SMORAF1BRAF
SCHEMBL6970752 0.85 MAPK14 (0.66) MAPK14SMORAF1BRAF
SCHEMBL6476258 0.84 OPRK1 (0.62) MAPK14SMOLMNATP53MAPT
SCHEMBL6978401 0.83 MAPK14 (0.52) MAPK14SMORAF1BRAF
SCHEMBL6978609 0.81 MAPK14 (0.68) MAPK14SMORAF1BRAF
SCHEMBL7828018 0.81 MAPK14 (0.59) MAPK14RAF1BRAF
SCHEMBL7807945 0.81 OPRK1 (0.56) MAPK14SMO

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
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP claimed