SCHEMBL6947384

SCHEMBL6947384

CN(Cc1cccnc1)S(=O)(=O)c1ccc(C(N)=O)c(Nc2ccc(I)cc2)c1OCC1CC1.O=C(NOCC1CC1)c1ccc(S(=O)(=O)N(CCO)Cc2ccncc2)cc1Nc1ccc(I)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 1/20 0.36
MAP2K1 Q02750 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PTGER2 P43116 1/20 0.32
NAMPT P43490 4/20 0.32
BUB1 O43683 1/20 0.31
ADRB2 P07550 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL6262597 0.83 MAP2K1 (0.43) CXCR3MAP2K1NAMPTALDH1A1MEN1
SCHEMBL6263499 0.82 MAP2K1 (0.43) CXCR3MAP2K1PDE4APDE4BPDE4C
SCHEMBL7112501 0.82 BUB1 (0.32) BUB1
SCHEMBL6262626 0.81 CXCR3 (0.46) CXCR3MAP2K1PDE4APDE4BPDE4C
SCHEMBL6262380 0.79 CXCR3 (0.41) CXCR3MAP2K1PDE4APDE4BPDE4C
SCHEMBL7459563 0.78 TDP1 (0.40) CXCR3MAP2K1PDE4APDE4BPDE4C
SCHEMBL7118232 0.78 CXCR3 (0.35) CXCR3NAMPTADRB2ALDH1A1KMT2A
SCHEMBL7118222 0.76 MEN1 (0.41) MAP2K1ALDH1A1MEN1KMT2ATDP1
SCHEMBL6261409 0.76 MAP2K1 (0.57) CXCR3MAP2K1ALDH1A1MEN1KMT2A
SCHEMBL6260593 0.76 MAP2K1 (0.56) CXCR3MAP2K1NAMPTALDH1A1MEN1

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
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP disclosed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed