SCHEMBL5317040

SCHEMBL5317040

Cn1c(NC2CCC(O)CC2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.59
L3MBTL1 Q9Y468 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTGER4 P35408 2/20 0.45
HPGD P15428 1/20 0.45
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 2/20 0.44
JAK3 P52333 2/20 0.44
KCNH2 Q12809 1/20 0.44
CSNK2A1 P68400 2/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
HCAR3 P49019 2/20 0.43
EHMT2 Q96KQ7 1/20 0.43
EHMT1 Q9H9B1 1/20 0.43
PDE4B Q07343 1/20 0.42
PDE7A Q13946 1/20 0.42

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
SCHEMBL5318291 0.90 L3MBTL1 (0.54) MAPK8L3MBTL1HDAC6PTGER4HPGD
SCHEMBL5315400 0.81 FLT3 (0.48)
SCHEMBL5320017 0.77 HDAC6 (0.50) L3MBTL1HDAC6PTGER4RAF1BRAF
SCHEMBL6320502 0.76 HDAC6 (0.53) L3MBTL1HDAC6PTGER4HPGDHCAR3
SCHEMBL1970364 0.73 HDAC6 (0.57) L3MBTL1HDAC6PTGER4HPGDHCAR3
SCHEMBL5316684 0.72 HCAR3 (0.50) HDAC6HPGDHCAR3EHMT2EHMT1
SCHEMBL558517 0.72 CSNK2A1 (0.58) MAPK8CSNK2A1CSNK2A2CSNK2BHCAR3
SCHEMBL558518 0.72 CSNK2A1 (0.58) MAPK8CSNK2A1CSNK2A2CSNK2BHCAR3
SCHEMBL1144927 0.71 HCAR3 (0.55) L3MBTL1HDAC6PTGER4HPGDHCAR3
SCHEMBL554569 0.71 HSD17B10 (0.64) L3MBTL1HCAR3

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-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed