SCHEMBL7679107

SCHEMBL7679107

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.72
SMO Q99835 1/20 0.61
RAF1 P04049 2/20 0.59
BRAF P15056 2/20 0.59
MAPT P10636 3/20 0.56
MAPK1 P28482 2/20 0.56
USP2 O75604 1/20 0.56
KMT2A Q03164 1/20 0.56
ESR2 Q92731 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TP53 P04637 1/20 0.53

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
SCHEMBL7838866 0.92 MAPK14 (0.65) MAPK14RAF1BRAF
SCHEMBL6485519 0.89 MAPK14 (0.89) MAPK14SMORAF1BRAFMAPT
SCHEMBL6978618 0.86 MAPK14 (0.65) MAPK14RAF1BRAF
SCHEMBL7678484 0.86 MAPK14 (0.69) MAPK14SMORAF1BRAF
SCHEMBL2968436 0.85 MAPK14 (0.82) MAPK14SMORAF1BRAFMAPT
SCHEMBL6969088 0.84 MAPK14 (0.61) MAPK14SMO
SCHEMBL7807977 0.84 MAPK14 (0.78) MAPK14SMORAF1BRAFMAPT
SCHEMBL6969309 0.84 MAPK14 (0.62) MAPK14RAF1BRAF
SCHEMBL6477445 0.83 MAPK14 (1.00) MAPK14SMORAF1BRAFMAPT
SCHEMBL6968243 0.82 MAPK14 (0.61) MAPK14RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed