SCHEMBL7826367

SCHEMBL7826367

Cc1cc(C#N)c(-c2cccc(C(=O)N=C(N)NOS(C)(=O)=O)c2)n1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.36
KAT6A Q92794 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30
ATIC P31939 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL7826363 0.88 SLC9A1 (0.47) SLC9A1
SCHEMBL7830020 0.85 SLC9A1 (0.40) SLC9A1CYP2D6CYP2C9CYP2C19
Guanidine SCHEMBL8703294 0.78 CA12 (0.34) KAT6AHRH3CA12CA1CA2
SCHEMBL8703297 0.77 KAT6A (0.37) SLC9A1KAT6AHRH3MEN1KMT2A
SCHEMBL8444457 0.77 DHODH (0.40) SLC9A1CA12CA1CA2CA9
SCHEMBL7816491 0.76 KDM4E (0.39) SLC9A1ATICMEN1KMT2AKDM4E
SCHEMBL7816360 0.76 SLC9A1 (0.34) SLC9A1KAT6ACA12CA1CA2
SCHEMBL7830864 0.76 SLC9A1 (0.34) SLC9A1CA12CA1CA2CA9
SCHEMBL7825281 0.76 PLAU (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL7822730 0.75 SLC9A1 (0.46) SLC9A1KAT6ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699185-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+ /H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
WO-1994026709-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF Na+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed