SCHEMBL6204476

SCHEMBL6204476

CCc1ccc(Nc2c(-c3nnc(N(C)CC4CCCCO4)o3)ccc(F)c2F)c(F)c1.CCc1ccc(Nc2c(-c3nnc(NCCc4ccco4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPC5 Q9UL62 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
SCHEMBL6399255 0.87 CNR2 (0.31) TRPC5
SCHEMBL6405632 0.85 TRPC5 (0.39) TRPC5
SCHEMBL6207134 0.81 TUBB4A (0.37) MAPTTRPC5
SCHEMBL6207571 0.78 TRPC5 (0.40) TRPC5
SCHEMBL6281375 0.73 IDO1 (0.33)
SCHEMBL6207184 0.72 FLT1 (0.39) TRPC5
SCHEMBL6205699 0.72 MAP2K1 (0.37)
SCHEMBL6398977 0.72 KDR (0.34)
SCHEMBL6396876 0.72 FLT3 (0.37) MAPTTDP1TRPC5
SCHEMBL6406191 0.71 ALDH1A1 (0.38) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578736-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL-PHENYLAMINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-09-28 EP claimed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO claimed