SCHEMBL7112487

SCHEMBL7112487

NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)c(OCC2CC2)c1Nc1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.40
FABP5 Q01469 3/20 0.40
ITGA1 P56199 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
CSF1R P07333 1/20 0.35
GPR27 Q9NS67 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.34
FABP3 P05413 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
IKBKB O14920 1/20 0.33
SYK P43405 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
BUB1 O43683 1/20 0.33
PDE4B Q07343 1/20 0.32
TET2 Q6N021 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7463477 0.80 ITGA1 (0.37) FABP4FABP5ITGA1SIRT2GPR27
SCHEMBL6262805 0.74 MEN1 (0.52) FABP4FABP5ITGA1GPR27MEN1
SCHEMBL7118232 0.71 CXCR3 (0.35) SYKALDH1A1KMT2A
SCHEMBL6264025 0.70 MAP2K1 (0.48) ITGA1GPR27MEN1KMT2A
SCHEMBL7122822 0.69 KMT2A (0.35) MEN1ALDH1A1KMT2A
SCHEMBL7784128 0.68 MEN1 (0.45) SIRT2CSF1RBUB1MEN1KMT2A
SCHEMBL7118600 0.67 JAK2 (0.40) CNR2ALDH1A1
SCHEMBL7115296 0.66 JAK2 (0.38) CNR2BUB1ALDH1A1
SCHEMBL6262810 0.65 MEN1 (0.48) PDE4BMEN1ALDH1A1KMT2A
SCHEMBL6262330 0.63 MAP2K1 (0.65) MEN1KMT2A

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