SCHEMBL6176997

SCHEMBL6176997

CC(c1cc(N2CCCCC2)nc2ccccc12)C1NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
GAA P10253 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41
PDE2A O00408 4/20 0.36
LMNA P02545 1/20 0.36
ADRB1 P08588 1/20 0.35
NCF1 P14598 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
MAPT P10636 2/20 0.34
ELANE P08246 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AR P10275 1/20 0.32
HSD17B10 Q99714 2/20 0.32
BCL2 P10415 1/20 0.32

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
SCHEMBL6175824 0.86 LMNA (0.39) ALDH1A1POLBPDE2ALMNATRPV4
SCHEMBL6175754 0.86 LMNA (0.39) PDE2ALMNATRPV4AR
SCHEMBL6172527 0.86 KDM4E (0.41) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL6172638 0.85 LMNA (0.39) PDE2ALMNATRPV4AR
SCHEMBL6171605 0.85 LMNA (0.39) ALDH1A1HPGDPDE2ALMNATRPV4
SCHEMBL6175015 0.84 LMNA (0.38) PDE2ALMNATRPV4AR
SCHEMBL6174916 0.82 IGF1R (0.35) PDE2ASMN1; SMN2AR
SCHEMBL6172238 0.81 KDM4E (0.39) KDM4EGAAL3MBTL1ACHEALDH1A1
SCHEMBL6173494 0.79 IGF1R (0.33) PDE2ALMNATRPV4
SCHEMBL6173968 0.78 IGF1R (0.35) PDE2ALMNAMAPT

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