SCHEMBL6172665

SCHEMBL6172665

CC(c1ccncc1C(=O)N1CCN(c2ccccc2)CC1)C1(C(C)c2ccncc2C(=O)N2CCN(c3ccccc3)CC2)NC(=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
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 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
SCHEMBL6176027 0.91 HRH4 (0.33) SLC6A9TP53MDM2ALDH1A1HTT
SCHEMBL6175091 0.90 SLC6A9 (0.34) SLC6A9LMNAMAPK1ALDH1A1TSHR
SCHEMBL6173489 0.90 DPP4 (0.36) SLC6A9LMNAMAPK1ALDH1A1TSHR
SCHEMBL6173517 0.87 ALDH1A1 (0.36) LMNAMAPK1TP53MDM2MEN1
SCHEMBL6177902 0.83 CYP2C9 (0.35) LMNATP53MEN1ALDH1A1KMT2A
SCHEMBL6172103 0.83 RXFP1 (0.42) LMNAL3MBTL1ALDH1A1HTT
SCHEMBL6171994 0.83 ALDH1A1 (0.37) LMNAMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6173425 0.82 LMNA (0.38) SLC6A9LMNAMAPK1MAPTRECQL
SCHEMBL6172898 0.82 SLC6A9 (0.38) SLC6A9LMNAMAPK1TP53MEN1
SCHEMBL6172896 0.82 IGF1R (0.39) SLC6A9LMNAMAPK1MAPTTP53

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