SCHEMBL7882001

SCHEMBL7882001

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

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
FLT3 P36888 3/20 0.49
HSD17B10 Q99714 2/20 0.48
MAPT P10636 1/20 0.48
DAO P14920 1/20 0.48
HPGD P15428 1/20 0.48
SRD5A2 P31213 1/20 0.48
AR P10275 1/20 0.46
AKR1C3 P42330 2/20 0.45
HTR2C P28335 1/20 0.45
PDGFRB P09619 3/20 0.45
PDGFRA P16234 3/20 0.45
IDO1 P14902 1/20 0.45
HRH4 Q9H3N8 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 SCHEMBL7873573 0.99 KDM4E (0.49) KDM4EALDH1A1GAAMAPK1FLT3
Hydrochloric Acid SCHEMBL7880824 0.91 KDM4E (0.50) KDM4EALDH1A1GAAMAPK1FLT3
Hydrochloric Acid SCHEMBL7881103 0.90 AKR1C3 (0.50) KDM4EALDH1A1GAAMAPK1FLT3
Hydrochloric Acid SCHEMBL7881094 0.88 KDM4E (0.49) KDM4EALDH1A1GAAMAPK1FLT3
Hydrochloric Acid SCHEMBL8628148 0.88 KDM4E (0.49) KDM4EALDH1A1GAAMAPK1FLT3
Hydrochloric Acid SCHEMBL7873315 0.87 KDM4E (0.48) KDM4EALDH1A1GAAMAPK1FLT3
SCHEMBL8628054 0.87 KDM4E (0.53) KDM4EALDH1A1GAAMAPK1FLT3
Hydrochloric Acid SCHEMBL7881224 0.87 KDM4E (0.48) KDM4EALDH1A1GAAMAPK1FLT3
SCHEMBL8630476 0.87 KDM4E (0.51) KDM4EALDH1A1GAAMAPK1FLT3
Hydrochloric Acid SCHEMBL7881081 0.86 KDM4E (0.52) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed