SCHEMBL6176736

SCHEMBL6176736

CC(c1ccnc(-c2ccc(F)cc2)c1)C1(C(C)c2ccnc(-c3ccc(F)cc3)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.37
HSD11B1 P28845 1/20 0.36
TRPA1 O75762 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
AR P10275 1/20 0.34
ATP1A1 P05023 1/20 0.34
ATP1B1 P05026 1/20 0.34
ATP1A3 P13637 1/20 0.34
ATP1B2 P14415 1/20 0.34

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
SCHEMBL6172398 0.93 MAT2A (0.43) MAT2ASCN10APOLBL3MBTL1SCN9A
SCHEMBL6175039 0.92 MAT2A (0.37) MAT2ASCN10ATSHRPOLBL3MBTL1
SCHEMBL6174464 0.85 IGF1R (0.41) TSHRKMT2ALMNAHTTAR
SCHEMBL17558396 0.85 POLB (0.39) TSHRKMT2APOLBL3MBTL1SCN9A
SCHEMBL6174008 0.85 POLB (0.41) KMT2APOLBL3MBTL1SCN9AAR
SCHEMBL6174586 0.85 TP53 (0.39) TSHRKMT2ALMNAHTTAR
SCHEMBL6173212 0.84 ADRB3 (0.40) POLBL3MBTL1SCN9AARPDE2A
SCHEMBL6175359 0.84 POLB (0.38) TSHRKMT2APOLBL3MBTL1SCN9A
SCHEMBL6173751 0.83 NPBWR1 (0.35) POLBL3MBTL1LMNAARATP1A1
SCHEMBL6171179 0.82 POLB (0.37) TSHRKMT2APOLBL3MBTL1SCN9A

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