SCHEMBL8533389

SCHEMBL8533389

N#Cc1c(C(=O)N=C(N)N)ccc(-c2ccccc2)c1S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 7/20 0.38
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
PLAU P00749 2/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
BCAT2 O15382 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8529278 0.89 SLC9A1 (0.42) SLC9A1KDM4EALDH1A1LMNACYP1A2
SCHEMBL8528932 0.84 XDH (0.40) IKBKBCHUKKDM4EALDH1A1LMNA
SCHEMBL8533060 0.81 SLC9A1 (0.40) SLC9A1HTR7HTR2BPLAUIKBKB
SCHEMBL8532933 0.80 SLC9A1 (0.43) SLC9A1
SCHEMBL8533081 0.78 SLC9A1 (0.40) SLC9A1
SCHEMBL8533404 0.78 HTR2B (0.39) SLC9A1HTR7HTR2BPLAUIKBKB
SCHEMBL8529534 0.76 SLC9A1 (0.39) SLC9A1HTR2BIKBKBCHUK
SCHEMBL8534938 0.72 SLC9A1 (0.44) SLC9A1
SCHEMBL8532456 0.72 SLC9A1 (0.49) SLC9A1
SCHEMBL8533251 0.71 KDM4E (0.47) KDM4EALDH1A1LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699660-B1 Arylbenzoylguanidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5807896-A Arylbenzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 1998-09-15 US disclosed
EP-0699660-A2 Arylbenzoylguanidines MERCK PATENT GmbH (DE) 1996-03-06 EP disclosed