SCHEMBL8627182

SCHEMBL8627182

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
FLT3 P36888 5/20 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
PDGFRB P09619 4/20 0.48
PDGFRA P16234 4/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTR2C P28335 1/20 0.43
FGFR1 P11362 1/20 0.43
IDO1 P14902 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 SCHEMBL7879674 0.99 KDM4E (0.50) KDM4EALDH1A1GAAMAPK1FLT3
SCHEMBL7881464 0.82 FLT3 (0.54) KDM4EALDH1A1GAAMAPK1FLT3
SCHEMBL7881399 0.81 PDGFRB (0.50) KDM4EALDH1A1GAAMAPK1FLT3
Hydrochloric Acid SCHEMBL7881779 0.81 FLT3 (0.53) KDM4EALDH1A1GAAMAPK1FLT3
SCHEMBL7880974 0.80 FLT3 (0.56) KDM4EALDH1A1GAAMAPK1FLT3
Hydrochloric Acid SCHEMBL7879848 0.79 FLT3 (0.54) KDM4EALDH1A1GAAMAPK1FLT3
SCHEMBL3246966 0.79 PDGFRB (0.57) KDM4EALDH1A1GAAMAPK1FLT3
SCHEMBL7873937 0.78 KDM4E (0.51) KDM4EALDH1A1GAAMAPK1FLT3
Hydrochloric Acid SCHEMBL7877499 0.78 KDM4E (0.48) KDM4EALDH1A1GAAMAPK1FLT3
Hydrochloric Acid SCHEMBL7873723 0.77 KDM4E (0.50) KDM4EALDH1A1GAAMAPK1FLT3

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