SCHEMBL7809453

SCHEMBL7809453

CCN(CC)Cc1ccc(C(=O)Nc2cc(Nc3cccc(N4CCOCC4)c3)ccc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.57
SMO Q99835 1/20 0.53
HDAC1 Q13547 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SETD2 Q9BYW2 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 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
SCHEMBL2972175 0.92 MAPK14 (0.60) MAPK14SMOSETD2
SCHEMBL6487809 0.91 MAPK14 (0.69) MAPK14SMORAB9A
SCHEMBL7804539 0.89 MAPK14 (0.56) MAPK14
SCHEMBL7852826 0.89 MAPK14 (0.55) MAPK14SMOSETD2
SCHEMBL27558565 0.87 MAPK1 (0.57) MAPK14SMOMEN1KMT2ANPC1
SCHEMBL7804583 0.85 MAPK14 (0.62) MAPK14SMOHDAC1MEN1KMT2A
SCHEMBL7780464 0.84 MAPK14 (0.65) MAPK14SMOHDAC1SETD2RAB9A
SCHEMBL6477438 0.83 MAPK14 (0.67) MAPK14SMO
SCHEMBL6977502 0.83 MAPK14 (0.56) MAPK14SMONPC1TP53PKM
SCHEMBL7809428 0.82 ALDH1A1 (0.50) MAPK14MEN1KMT2APKMMAPK1

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-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP claimed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO claimed