SCHEMBL6172898

SCHEMBL6172898

CC(c1ccncc1C(=O)N1CCN(c2ccccc2)CC1)C1NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.38
HTT P42858 4/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRM1 P11229 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL6175321 0.87 KCNA5 (0.41) HTTMEN1ALDH1A1KMT2ACHRM1
SCHEMBL6172002 0.83 LMNA (0.41) ALDH1A1KMT2ALMNA
SCHEMBL6172665 0.82 SLC6A9 (0.38) SLC6A9HTTMEN1ALDH1A1KMT2A
SCHEMBL6170251 0.81 IGF1R (0.33) LMNA
SCHEMBL6175297 0.80 LMNA (0.39) HTTSMN1; SMN2LMNAMAPK1
SCHEMBL6174658 0.80 RXFP1 (0.34) ALDH1A1SMN1; SMN2TSHRLMNAMAPK1
SCHEMBL6175175 0.79 IGF1R (0.36) HTTSMN1; SMN2LMNAMAPK1
SCHEMBL6175990 0.78 KIF11 (0.37) LMNA
SCHEMBL6171408 0.78 IGF1R (0.35) HTTSMN1; SMN2LMNAMAPK1
SCHEMBL6175577 0.77 EPHX2 (0.40) ALDH1A1TP53LMNA

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