SCHEMBL6175558

SCHEMBL6175558

CCCCOC(=O)Nc1cnccc1C(C)C1NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.35
GAA P10253 1/20 0.35
PKM P14618 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
SPHK1 Q9NYA1 2/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NAMPT P43490 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 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
SCHEMBL6174685 0.88 RXFP1 (0.36) RXFP1NAMPTLMNA
SCHEMBL6171505 0.87 IGF1R (0.34) KMT2AALDH1A1SPHK1SMN1; SMN2NPC1
SCHEMBL6175990 0.85 KIF11 (0.37) RXFP1NAMPTLMNA
SCHEMBL6172454 0.82 GAA (0.36) RXFP1GAAPKMKMT2AALDH1A1
SCHEMBL6174499 0.82 GAA (0.35) RXFP1GAAPKMKMT2AALDH1A1
SCHEMBL6176021 0.81 IGF1R (0.34) RXFP1SMN1; SMN2LMNA
SCHEMBL6171910 0.81 NAMPT (0.47) NAMPT
SCHEMBL6174658 0.80 RXFP1 (0.34) RXFP1ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL6174116 0.80 IGF1R (0.33) LMNA
SCHEMBL6175260 0.80 IGF1R (0.39) SMN1; SMN2NAMPTLMNA

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