SCHEMBL7415511

SCHEMBL7415511

N#Cc1cccc(CN2C(=O)C[CH]C2C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
ADRA1D P25100 1/20 0.43
EPHX1 P07099 1/20 0.42
FAAH O00519 1/20 0.42
KCNH2 Q12809 1/20 0.41
FEN1 P39748 1/20 0.41
BRD4 O60885 1/20 0.40
DPP4 P27487 1/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR2 P41597 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2814835 0.83 PRMT6 (0.42) SIRT2SIRT1ALDH1A1KLKB1KLK1
SCHEMBL7419587 0.77 SIRT2 (0.51) SIRT2SIRT1ADRA1DEPHX1FAAH
SCHEMBL1613572 0.75 GYS1 (0.50) SIRT2SIRT1EPHX1FAAHFEN1
SCHEMBL288654 0.75 GYS1 (0.50) SIRT2SIRT1EPHX1FAAHFEN1
SCHEMBL7419782 0.74 SIRT2 (0.50) SIRT2SIRT1ADRA1DEPHX1FAAH
SCHEMBL7427081 0.73 SIRT2 (0.60) SIRT2SIRT1ADRA1DEPHX1FAAH
SCHEMBL28021031 0.73 CCR2 (0.46) SIRT2SIRT1ADRA1DFAAHFEN1
SCHEMBL8833260 0.71 SIRT2 (0.55) SIRT2SIRT1ADRA1DEPHX1FAAH
SCHEMBL7426687 0.71 SIRT2 (0.55) SIRT2SIRT1ADRA1DEPHX1FAAH
SCHEMBL7419118 0.71 SIRT2 (0.55) SIRT2SIRT1ADRA1DEPHX1FAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853618-A4 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE POULENC RORER PHARMA (US) 2000-03-15 EP disclosed
EP-0853618-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-07-22 EP disclosed
US-5612353-A ANTICOAGULANT RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-03-18 US disclosed
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed