SCHEMBL8630476

SCHEMBL8630476

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
ITGB3 P05106 2/20 0.50
ITGA2B P08514 2/20 0.50
MAPT P10636 1/20 0.49
DAO P14920 1/20 0.49
HPGD P15428 1/20 0.49
SRD5A2 P31213 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CCKBR P32239 2/20 0.47
FLT3 P36888 1/20 0.47
AR P10275 1/20 0.46
HTR2C P28335 1/20 0.46
IDO1 P14902 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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 SCHEMBL7873659 0.99 KDM4E (0.50) KDM4EALDH1A1GAAMAPK1ITGB3
Hydrochloric Acid SCHEMBL7881224 0.90 KDM4E (0.48) KDM4EALDH1A1GAAMAPK1ITGB3
SCHEMBL7882001 0.87 KDM4E (0.50) KDM4EALDH1A1GAAMAPK1MAPT
Hydrochloric Acid SCHEMBL8628148 0.86 KDM4E (0.49) KDM4EALDH1A1GAAMAPK1MAPT
Hydrochloric Acid SCHEMBL7873573 0.86 KDM4E (0.49) KDM4EALDH1A1GAAMAPK1MAPT
Hydrochloric Acid SCHEMBL7881094 0.86 KDM4E (0.49) KDM4EALDH1A1GAAMAPK1MAPT
Hydrochloric Acid SCHEMBL7879984 0.85 AR (0.50) KDM4EALDH1A1GAAMAPK1MAPT
Hydrochloric Acid SCHEMBL7873315 0.85 KDM4E (0.48) KDM4EALDH1A1GAAMAPK1MAPT
SCHEMBL8628054 0.85 KDM4E (0.53) KDM4EALDH1A1GAAMAPK1ITGB3
Hydrochloric Acid SCHEMBL7881081 0.84 KDM4E (0.52) KDM4EALDH1A1GAAMAPK1ITGB3

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