SCHEMBL6172452

SCHEMBL6172452

CC(c1ccncc1N1CCOCC1)C1(C(C)c2ccncc2N2CCOCC2)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
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
NAMPT P43490 5/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
IGF1R P08069 1/20 0.32
KMT2A Q03164 1/20 0.32
PTK2 Q05397 1/20 0.32
PTK2B Q14289 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A9 P48067 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
SCHEMBL6202665 0.91 SMN1; SMN2 (0.42) HTTLMNAMAPK1SMN1; SMN2CYP2C9
SCHEMBL6173842 0.85 PRKDC (0.36) CYP2C9CYP2C19MAPTPOLBL3MBTL1
SCHEMBL6175091 0.85 SLC6A9 (0.34) HTTLMNAMAPK1SMN1; SMN2CYP2C9
SCHEMBL6174716 0.84 KMT2A (0.36) HTTLMNAMAPK1SMN1; SMN2CYP2C9
SCHEMBL6176692 0.83 KMT2A (0.36) HTTLMNAMAPK1SMN1; SMN2CYP2C9
SCHEMBL6173750 0.83 KMT2A (0.39) HTTLMNAMAPK1SMN1; SMN2CYP2C9
SCHEMBL6173546 0.82 KMT2A (0.36) HTTLMNAMAPK1SMN1; SMN2CYP2C9
SCHEMBL6177145 0.80 IGF1R (0.40) HTTLMNAMAPK1SMN1; SMN2CYP2C9
SCHEMBL6172022 0.80 KMT2A (0.36) HTTLMNAMAPK1SMN1; SMN2CYP2C9
SCHEMBL6172519 0.80 IGF1R (0.38) HTTLMNAMAPK1SMN1; SMN2CYP2C9

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