SCHEMBL6969085

SCHEMBL6969085

Cc1ccc(C2(N3CCOCC3)C=C(C(N)=O)C=CN2)cc1NC(=O)c1cccc(OCCC2CCCN2C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.37
KDR P35968 1/20 0.37
GAA P10253 1/20 0.36
MAPK14 Q16539 3/20 0.36
SMO Q99835 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL6975773 0.80 RAB9A (0.38) RAB9AALDH1A1TSHRMEN1KMT2A
SCHEMBL6969091 0.75 MAPK14 (0.42) CHRM3KDRMAPK14SMOALDH1A1
SCHEMBL6486377 0.75 MAPK14 (0.63) MAPK14SMORAB9ATSHRMEN1
SCHEMBL7805580 0.73 MAPK14 (0.56) MAPK14SMORAB9ATSHRMEN1
SCHEMBL6972610 0.73 PDE4D (0.41) ALDH1A1MEN1KMT2A
SCHEMBL6969088 0.72 MAPK14 (0.61) MAPK14SMO
SCHEMBL6978401 0.70 MAPK14 (0.52) MAPK14SMO
SCHEMBL7109855 0.68 MAPK14 (0.59) MAPK14SMORAB9AMEN1KMT2A
SCHEMBL6571676 0.64 MAPK14 (0.47) MAPK14SMO
SCHEMBL6487036 0.63 MAPK14 (0.66) KDRMAPK14SMORAB9ATSHR

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