SCHEMBL5318327

SCHEMBL5318327

Cn1c(NCCc2ccccc2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.81
EHMT2 Q96KQ7 2/20 0.58
EHMT1 Q9H9B1 1/20 0.58
CYP3A4 P08684 1/20 0.53
CSNK2A1 P68400 3/20 0.50
CSNK2A2 P19784 2/20 0.50
CSNK2B P67870 1/20 0.50
HDAC1 Q13547 2/20 0.49
GSK3B P49841 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
TRPC5 Q9UL62 1/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL5318309 0.90 HDAC6 (0.76) HDAC6EHMT2EHMT1CYP3A4HDAC1
SCHEMBL19058676 0.90 HDAC6 (1.00) HDAC6HDAC1
SCHEMBL4980587 0.81 HDAC6 (0.64) HDAC6CYP3A4GSK3BMAOAMAOB
SCHEMBL6530892 0.80 L3MBTL1 (0.58) HDAC6EHMT2EHMT1CSNK2A1CSNK2A2
SCHEMBL5317461 0.80 HDAC6 (0.62) HDAC6TP53MAPT
SCHEMBL4980845 0.79 HDAC6 (0.61) HDAC6CYP3A4GSK3BMAOAMAOB
SCHEMBL5317666 0.79 HDAC6 (0.52) HDAC6EHMT2EHMT1HSD17B10KDM4E
SCHEMBL22382419 0.78 EHMT2 (0.53) HDAC6EHMT2EHMT1HDAC1HSD17B10
SCHEMBL5320017 0.77 HDAC6 (0.50) HDAC6EHMT2EHMT1HSD17B10KDM4E
SCHEMBL6320502 0.76 HDAC6 (0.53) HDAC6EHMT2EHMT1HDAC1HSD17B10

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