SCHEMBL7148162

SCHEMBL7148162

COCc1c(C2CCCN(C(=O)O)C2)cc(-c2ccccc2O)nc1[AsH2]

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.43
PDE2A O00408 2/20 0.38
PROKR1 Q8TCW9 3/20 0.37
SCN9A Q15858 4/20 0.37
MYC P01106 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
RBP4 P02753 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL4944352 0.89 IKBKB (0.52) IKBKBPROKR1SCN9A
SCHEMBL4945716 0.79 IKBKB (0.52) IKBKBPDE2AMYC
SCHEMBL7170729 0.79 SMARCA2 (0.46) IKBKBSCN9AALDH1A1HPGD
SCHEMBL14028507 0.78 SMARCA2 (0.49) IKBKBSCN9AALDH1A1HPGD
SCHEMBL7015775 0.77 IKBKB (0.51) IKBKBPDE2A
SCHEMBL4942772 0.77 IKBKB (0.56) IKBKBPDE2ASCN9AMYC
SCHEMBL4942229 0.74 IKBKB (0.53) IKBKBPDE2APROKR1SCN9AMYC
SCHEMBL4946214 0.73 IKBKB (0.71) IKBKB
SCHEMBL5718611 0.72 MEN1 (0.52) IKBKBLMNA
SCHEMBL4939866 0.71 IKBKB (0.50) IKBKBPDE2ASCN9AMYC

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-1326856-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY Bayer Aktiengesellschaft (DE) 2003-07-16 EP disclosed
WO-2002024679-A1 PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-β) INHIBITING ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-03-28 WO disclosed