SCHEMBL8628054

SCHEMBL8628054

N=C(N)N(CCCN)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
FLT3 P36888 3/20 0.47
MAPT P10636 1/20 0.46
DAO P14920 1/20 0.46
HPGD P15428 1/20 0.46
SRD5A2 P31213 1/20 0.46
MC4R P32245 2/20 0.45
MC5R P33032 2/20 0.45
MC3R P41968 2/20 0.45
AR P10275 1/20 0.44
HTR2C P28335 1/20 0.43
PDGFRB P09619 3/20 0.43
PDGFRA P16234 3/20 0.43
IDO1 P14902 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
Hydrochloric Acid SCHEMBL8628016 0.99 KDM4E (0.52) KDM4EHSD17B10ALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7881081 0.99 KDM4E (0.52) KDM4EHSD17B10ALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL8628148 0.91 KDM4E (0.49) KDM4EHSD17B10ALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7881094 0.91 KDM4E (0.49) KDM4EHSD17B10ALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7880824 0.89 KDM4E (0.50) KDM4EHSD17B10ALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7881103 0.88 AKR1C3 (0.50) KDM4EHSD17B10ALDH1A1GAAMAPK1
SCHEMBL7882001 0.87 KDM4E (0.50) KDM4EHSD17B10ALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7881067 0.87 PDGFRB (0.54) KDM4EHSD17B10ALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL8633471 0.87 PDGFRB (0.54) KDM4EHSD17B10ALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7873573 0.86 KDM4E (0.49) KDM4EHSD17B10ALDH1A1GAAMAPK1

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-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed