SCHEMBL6173288

SCHEMBL6173288

O=C1CN(C(N=S(=O)=O)c2ccncc2-c2cccs2)C(=O)N1c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNA5 P22460 1/20 0.32
TP53 P04637 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL6175775 0.87 PTGS2 (0.33)
SCHEMBL6207381 0.84 MARS1 (0.33) MAPTMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL6203217 0.71 CACNA1B (0.33)
SCHEMBL6173810 0.67 MAPT (0.35) MAPTMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL6173204 0.66 CACNA1B (0.37) MAPTCYP2C9CYP2C19TP53
SCHEMBL6172495 0.66 HTR2C (0.36) MEN1CYP2C9KMT2AKCNA5
SCHEMBL6174431 0.65 KMT2A (0.39) MAPTKMT2AROCK2
SCHEMBL2937503 0.63 ENPP2 (0.44) KCNA5
SCHEMBL2938447 0.62 CCR9 (0.38) MAPTMEN1CYP1A2CYP2D6CYP2C9
SCHEMBL2940197 0.62 PPARD (0.38) MAPTMEN1CYP1A2CYP2D6CYP2C9

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-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed