SCHEMBL7112501

SCHEMBL7112501

NC(=O)c1ccc(S(=O)(=O)N(CCO)Cc2ccncc2)c(OCC2CC2)c1Nc1ccc(I)cc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
SYK P43405 1/20 0.30

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
SCHEMBL7118222 0.89 MEN1 (0.41)
SCHEMBL7783692 0.83 HDAC6 (0.37) BUB1
SCHEMBL7118232 0.82 CXCR3 (0.35) JAK2JAK1SYK
SCHEMBL6947384 0.82 CXCR3 (0.36) BUB1
SCHEMBL6261631 0.78 MEN1 (0.47)
SCHEMBL6262597 0.75 MAP2K1 (0.43)
SCHEMBL7122977 0.75 NAMPT (0.35) BUB1JAK2JAK1
SCHEMBL6264267 0.75 MEN1 (0.45)
SCHEMBL7112487 0.74 FABP4 (0.40) BUB1SYK
SCHEMBL7118932 0.74 KMT2A (0.37)

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
JP-2003504401-A 2003-02-04 JP claimed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP claimed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed