SCHEMBL5316684

SCHEMBL5316684

CC(C)[C@@H](C)Nc1nc2cc(C(=O)O)ccc2n1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.50
HPGD P15428 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
HDAC6 Q9UBN7 8/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
EHMT2 Q96KQ7 1/20 0.43
EHMT1 Q9H9B1 1/20 0.43
IDH1 O75874 1/20 0.43

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
SCHEMBL5316997 0.87 KDM4E (0.50) HPGDHDAC6HDAC1HDAC8HDAC3
SCHEMBL463732 0.80 SMN1; SMN2 (0.53) HCAR3HPGDHCAR2HDAC6SMN1; SMN2
SCHEMBL6320502 0.80 HDAC6 (0.53) HCAR3HPGDHCAR2HDAC6SMN1; SMN2
Hydrochloric Acid SCHEMBL440736 0.79 SMN1; SMN2 (0.52) HCAR3HPGDHCAR2HDAC6SMN1; SMN2
SCHEMBL5315622 0.77 TLR9 (0.46)
SCHEMBL12869558 0.75 HCAR3 (0.47) HCAR3HPGDHCAR2HDAC6SMN1; SMN2
SCHEMBL1144927 0.75 HCAR3 (0.55) HCAR3HPGDHCAR2HDAC6SMN1; SMN2
SCHEMBL554569 0.75 HSD17B10 (0.64) HCAR3SMN1; SMN2HSD17B10HTT
SCHEMBL1970364 0.75 HDAC6 (0.57) HCAR3HPGDHDAC6HSD17B10HTT
SCHEMBL5317666 0.75 HDAC6 (0.52) HCAR3HPGDHCAR2HDAC6SMN1; SMN2

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