SCHEMBL6173353

SCHEMBL6173353

CC(c1ccncc1C(=O)Oc1ccccc1)C1NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
CXCR3 P49682 4/20 0.35
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LIPE Q05469 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 1/20 0.33
ATP1A4 Q13733 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 2/20 0.32
CCR6 P51684 1/20 0.32
KCNH2 Q12809 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
SCHEMBL6170501 0.90 LMNA (0.42) LMNACXCR3POLBL3MBTL1LIPE
SCHEMBL6172002 0.88 LMNA (0.41) LMNAKMT2AALDH1A1
SCHEMBL6176359 0.88 LMNA (0.39) LMNACXCR3POLBL3MBTL1LIPE
SCHEMBL6173172 0.87 LMNA (0.41) LMNAL3MBTL1SMN1; SMN2TP53KCNH2
SCHEMBL6174458 0.87 SLC5A1 (0.40) LMNACXCR3POLBL3MBTL1LIPE
SCHEMBL6175948 0.85 LMNA (0.42) LMNACXCR3POLBL3MBTL1LIPE
SCHEMBL6175321 0.85 KCNA5 (0.41) LMNALIPESMN1; SMN2TP53KMT2A
SCHEMBL6173052 0.83 EPHX2 (0.36) LMNACXCR3POLBL3MBTL1LIPE
SCHEMBL6175577 0.82 EPHX2 (0.40) LMNALIPETP53ALDH1A1
SCHEMBL6176663 0.82 LMNA (0.39) LMNACXCR3POLBL3MBTL1NPC1

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