SCHEMBL6581999

SCHEMBL6581999

COc1ccc(-c2cc(NC(=O)C(C)(C)c3ccc4ccccc4c3)n[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.57
CSNK2A1 P68400 1/20 0.57
NPY5R Q15761 5/20 0.57
HPGDS O60760 1/20 0.52
PTK2B Q14289 1/20 0.48
CHRNA3 P32297 2/20 0.47
KCNH2 Q12809 1/20 0.47
TNIK Q9UKE5 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6584499 0.78 NPY5R (0.56) CSNK2A2CSNK2A1NPY5RHPGDSCHRNA3
SCHEMBL6583002 0.77 NPY5R (0.65) CSNK2A2CSNK2A1NPY5RCHRNA3KCNH2
SCHEMBL1666395 0.77 CSNK2A2 (0.90) CSNK2A2CSNK2A1NPY5RHPGDSCHRNA3
SCHEMBL7930564 0.76 CSNK2A2 (0.65) CSNK2A2CSNK2A1NPY5RCHRNA3KCNH2
SCHEMBL1664964 0.76 CSNK2A2 (0.88) CSNK2A2CSNK2A1NPY5RHPGDSCHRNA3
SCHEMBL6960853 0.75 CSNK2A2 (0.64) CSNK2A2CSNK2A1NPY5RHPGDSCHRNA3
SCHEMBL1663439 0.73 CSNK2A2 (0.82) CSNK2A2CSNK2A1NPY5RHPGDSPTK2B
SCHEMBL7000363 0.73 NPY5R (1.00) CSNK2A2CSNK2A1NPY5RCHRNA3KCNH2
SCHEMBL7890086 0.72 HTT (0.43) NPY5RLMNANPC1RAB9A
Iodide SCHEMBL2378107 0.71 CSNK2A2 (0.62) CSNK2A2CSNK2A1NPY5RCHRNA3KCNH2

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-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP claimed
US-6180653-B1 EATING DISORDERS; DIETETICS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-01-30 US claimed
EP-0945440-A1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP claimed
EP-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP disclosed
US-6180653-B1 EATING DISORDERS; DIETETICS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-01-30 US disclosed
EP-0945440-A1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed