SCHEMBL6958633

SCHEMBL6958633

COc1ccc(-c2cc(NC(=O)NCCNc3ccccc3)n[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.56
CSNK2A1 P68400 1/20 0.56
NPY5R Q15761 2/20 0.56
ROCK2 O75116 3/20 0.55
ROCK1 Q13464 3/20 0.55
TNIK Q9UKE5 3/20 0.49
CHRNA3 P32297 2/20 0.48
HPGDS O60760 1/20 0.48
KCNH2 Q12809 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
FPR2 P25090 1/20 0.48

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
SCHEMBL6960853 0.77 CSNK2A2 (0.64) CSNK2A2CSNK2A1NPY5RTNIKCHRNA3
SCHEMBL13312218 0.77 APP (0.65) CSNK2A2CSNK2A1NPY5RTNIKCHRNA3
SCHEMBL7930564 0.75 CSNK2A2 (0.65) CSNK2A2CSNK2A1NPY5RCHRNA3KCNH2
SCHEMBL1666395 0.74 CSNK2A2 (0.90) CSNK2A2CSNK2A1NPY5RTNIKCHRNA3
SCHEMBL6395915 0.73 CSNK2A2 (0.58) CSNK2A2CSNK2A1NPY5RCHRNA3KCNH2
SCHEMBL1664964 0.73 CSNK2A2 (0.88) CSNK2A2CSNK2A1NPY5RTNIKCHRNA3
SCHEMBL7000363 0.72 NPY5R (1.00) CSNK2A2CSNK2A1NPY5RCHRNA3KCNH2
SCHEMBL21262532 0.72 CSNK2A2 (0.64) CSNK2A2CSNK2A1NPY5RTNIKMEN1
SCHEMBL21262534 0.72 TNIK (0.70) CSNK2A2CSNK2A1NPY5RTNIK
SCHEMBL29965727 0.72 TNIK (0.70) CSNK2A2CSNK2A1NPY5RTNIK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed
US-6043246-A Urea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-03-28 US claimed
EP-0955293-A1 NOVEL UREA DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-11-10 EP claimed
EP-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP disclosed
US-6043246-A Urea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-03-28 US disclosed
EP-0955293-A1 NOVEL UREA DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-11-10 EP disclosed