SCHEMBL6174332

SCHEMBL6174332

CC(NC(=O)Cc1ccccc1)(c1ccncc1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.40
CACNA1G O43497 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
LIPE Q05469 5/20 0.39
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
PDE2A O00408 1/20 0.36
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CXCR3 P49682 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 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
SCHEMBL6176592 0.86 IGF1R (0.38) SMN1; SMN2ALDH1A1LMNA
SCHEMBL2937621 0.71 LIPE (0.42) CACNA1HCACNA1GCACNA1ILIPELTA4H
SCHEMBL6174328 0.69 GAA (0.41) CACNA1HCACNA1GCACNA1ILIPELTA4H
SCHEMBL2937313 0.68 CACNA1G (0.41) CACNA1HCACNA1GCACNA1ILIPELTA4H
SCHEMBL2932740 0.67 CACNA1G (0.41) CACNA1HCACNA1GCACNA1ILIPELTA4H
SCHEMBL2939425 0.67 IGF1R (0.44) CACNA1HCACNA1GCACNA1ILIPEPOLB
SCHEMBL6173573 0.65 CACNA1H (0.41) CACNA1HCACNA1GCACNA1ICXCR3ALDH1A1
SCHEMBL6173172 0.65 LMNA (0.41) KCNH2L3MBTL1SMN1; SMN2LMNAFLT1
SCHEMBL6173353 0.65 LMNA (0.45) LIPEPDE2AKCNH2POLBL3MBTL1
SCHEMBL6173781 0.65 LMNA (0.43) LIPEKCNH2POLBL3MBTL1SMN1; SMN2

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