SCHEMBL7958878

SCHEMBL7958878

OCCCc1oc(-c2cc[nH]n2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
AKT1 P31749 1/20 0.36
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NOTUM Q6P988 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
RXRA P19793 3/20 0.31
RXRB P28702 3/20 0.31
RXRG P48443 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TLR8 Q9NR97 1/20 0.30
TARBP2 Q15633 1/20 0.30

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
SCHEMBL8307319 0.80
SCHEMBL4442406 0.79 SIRT2 (0.38) SIRT2AKT1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL1363162 0.76 SIRT2 (0.49) SIRT2AKT1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL4563793 0.76 SIRT2 (0.35) SIRT2AKT1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL7514117 0.75 SIRT2 (0.34) SIRT2AKT1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL4442084 0.75 SIRT2 (0.34) SIRT2AKT1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL8307946 0.71 ALDH1A1 (0.35) SIRT2AKT1NPSR1ALDH1A1NOTUM
SCHEMBL9848736 0.68 SIRT2 (0.52) SIRT2NPSR1ALDH1A1SMN1; SMN2NOTUM
SCHEMBL7510444 0.68 PTGS1 (0.34) NOTUMRXRARXRBRXRGTLR8
SCHEMBL8303146 0.68 CRHR1 (0.31)

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
US-6177452-B1 ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-23 US disclosed