SCHEMBL1698577

SCHEMBL1698577

CCN(CC)Cc1cccc(C(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ACMSD Q8TDX5 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.46
BRD4 O60885 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
PTGER1 P34995 1/20 0.40
ECE1 P42892 1/20 0.39
CYP1A2 P05177 1/20 0.39
GNE Q9Y223 1/20 0.38

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
SCHEMBL22451834 0.88 KDM4E (0.57) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL12453810 0.87 KDM4E (0.48) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL28619641 0.87 POLB (0.40) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL2310414 0.86 KDM4E (0.55) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL30538868 0.86 KDM4E (0.55) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL19623143 0.85 KDM4E (0.50) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL29299551 0.84 KDM4E (0.39) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL31721319 0.83 KDM4E (0.55) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1252559 0.83 KDM4E (0.55) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL23568184 0.82 KDM4E (0.50) KDM4EALOX15TSHRACMSDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011150198-A1 AZOLYL UREA COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 WO disclosed