SCHEMBL8627247

SCHEMBL8627247

N=C(N)N(Cc1ccc(N)cc1)C(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
FLT3 P36888 2/20 0.44
IDO1 P14902 1/20 0.44
MAPT P10636 1/20 0.43
DAO P14920 1/20 0.43
HPGD P15428 1/20 0.43
SRD5A2 P31213 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
MDM2 Q00987 1/20 0.42
ATM Q13315 1/20 0.41
ACKR3 P25106 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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 SCHEMBL7882303 0.99 AR (0.47) ARKDM4EALDH1A1GAAMAPK1
SCHEMBL7873563 0.91 AR (0.56) ARKDM4EALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7877804 0.90 AR (0.55) ARKDM4EALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7882110 0.88 AR (0.46) ARKDM4EALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7881242 0.87 KDM4E (0.45) ARKDM4EALDH1A1GAAMAPK1
SCHEMBL7873301 0.85 PDGFRB (0.45) ARKDM4EALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7880907 0.85 MEN1 (0.54) KDM4EALDH1A1FLT3MAPTHSD17B10
Hydrochloric Acid SCHEMBL7873549 0.85 PDGFRB (0.45) ARKDM4EALDH1A1GAAMAPK1
SCHEMBL7882001 0.80 KDM4E (0.50) ARKDM4EALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL7882186 0.80 KDM4E (0.50) ARKDM4EALDH1A1GAAMAPK1

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