SCHEMBL7780464

SCHEMBL7780464

Cc1ccc(Nc2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccc(N2CCOCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.65
SMO Q99835 1/20 0.61
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SETD2 Q9BYW2 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL7809438 0.94 MAPK14 (0.59) MAPK14SMOMAPTHTTRAB9A
SCHEMBL7805605 0.94 MAPK14 (0.61) MAPK14SMOMAPTHTTRAB9A
SCHEMBL6782804 0.92 MAPK14 (0.73) MAPK14SMOMAPTHTTRAB9A
SCHEMBL7804583 0.91 MAPK14 (0.62) MAPK14SMOMAPTRAB9ASETD2
SCHEMBL7799017 0.91 MAPK14 (0.57) MAPK14SMOMAPTHTTRAB9A
SCHEMBL7804599 0.90 MAPT (0.59) MAPK14SMOMAPTPOLB
SCHEMBL6484389 0.88 MAPK14 (0.70) MAPK14SMOMAPTHTTRAB9A
SCHEMBL6478056 0.88 MAPK14 (0.68) MAPK14SMOMAPTHTTRAB9A
SCHEMBL7806474 0.87 MAPK14 (0.56) MAPK14SMOMAPTHDAC3HDAC1
SCHEMBL6485580 0.87 MAPK14 (0.75) MAPK14SMOMAPTHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001517620-A 2001-10-09 JP claimed
EP-1017378-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca UK Limited (GB) 2000-07-12 EP claimed
WO-1999015164-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ZENECA LIMITED (GB) 1999-04-01 WO claimed
EP-1017378-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca UK Limited (GB) 2000-07-12 EP disclosed
WO-1999015164-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ZENECA LIMITED (GB) 1999-04-01 WO disclosed