SCHEMBL8042725

SCHEMBL8042725

N#Cc1ccc(O)c(CN2CCC(C(N)=O)C2=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
F10 P00742 10/20 0.34
F2 P00734 9/20 0.34
PLG P00747 6/20 0.34
PLAT P00750 6/20 0.34
PROC P04070 6/20 0.34
PRSS1 P07477 3/20 0.34
NLRP3 Q96P20 1/20 0.34
ACHE P22303 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
DPP4 P27487 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33

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
SCHEMBL8029146 1.00 SIRT2 (0.35) SIRT2SIRT1KDM4EALDH1A1HPGD
SCHEMBL7417913 0.88 SIRT2 (0.35) SIRT2SIRT1KDM4EALDH1A1HPGD
SCHEMBL8029685 0.88 SIRT2 (0.35) SIRT2SIRT1KDM4EALDH1A1HPGD
SCHEMBL8039167 0.87 HCRTR1 (0.39) SIRT2SIRT1F10F2DPP4
SCHEMBL8040958 0.84 KDM1A (0.36) KDM4EALDH1A1HPGDALOX12F10
SCHEMBL7425272 0.84 KDM1A (0.36) KDM4EALDH1A1HPGDALOX12F10
Hydrochloric Acid SCHEMBL7425419 0.83 ACHE (0.37) KDM4EALDH1A1HPGDALOX12F10
Hydrochloric Acid SCHEMBL7423170 0.83 ACHE (0.37) KDM4EALDH1A1HPGDALOX12F10
SCHEMBL7424934 0.82 FNTA (0.44) DPP4FNTAFNTBPGGT1B
SCHEMBL7419118 0.80 SIRT2 (0.55) SIRT2SIRT1HRH3DPP4

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-6034093-A Substituted sulfonic acid N-[(aminoiminomethyl)phenylalkyl]-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-03-07 US disclosed