SCHEMBL6945681

SCHEMBL6945681

Cc1cc(C#C[Si](C)(C)C)ccc1Nc1cc(F)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 2/20 0.47
IDO1 P14902 2/20 0.42
MAP2K1 Q02750 2/20 0.41
FTO Q9C0B1 1/20 0.39
MKNK2 Q9HBH9 1/20 0.38
P2RY4 P51582 1/20 0.38
DHODH Q02127 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
AKR1B10 O60218 1/20 0.34

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
SCHEMBL6946571 0.83 CLCN2 (0.51) CLCN2IDO1MAP2K1FTOMKNK2
SCHEMBL5012566 0.78 RXRB (0.40)
SCHEMBL6035661 0.76 CLCN2 (0.54) CLCN2IDO1MAP2K1MKNK2P2RY4
SCHEMBL4855512 0.76 IDO1 (0.61) CLCN2IDO1MAP2K1MKNK2P2RY4
SCHEMBL6948311 0.74 CLCN2 (0.52) CLCN2IDO1MAP2K1FTOMKNK2
SCHEMBL31064115 0.74 HNF4A (0.38)
SCHEMBL22852841 0.74 CLCN2 (0.57) CLCN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL22852829 0.74 ALDH1A1 (0.52) CLCN2IDO1MAP2K1MKNK2P2RY4
SCHEMBL30294548 0.74 CLCN2 (0.57) CLCN2MAPK13MAPK12MAPK11MAPK14
SCHEMBL30294563 0.74 ALDH1A1 (0.52) CLCN2IDO1MAP2K1MKNK2P2RY4

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
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
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed