SCHEMBL7882011

SCHEMBL7882011

NC(=NC(=O)c1cc2ccccc2[nH]1)NCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 2/20 0.55
AKR1C3 P42330 1/20 0.53
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 2/20 0.51
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
FLT3 P36888 1/20 0.48
HTR2C P28335 1/20 0.47
MAPT P10636 1/20 0.47
DAO P14920 1/20 0.47
HPGD P15428 1/20 0.47
SRD5A2 P31213 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 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 SCHEMBL7873577 0.99 KDM4E (0.54) KDM4EALDH1A1AKR1C3GAAMAPK1
Hydrochloric Acid SCHEMBL7880832 0.91 KDM4E (0.65) KDM4EALDH1A1AKR1C3GAAMAPK1
Hydrochloric Acid SCHEMBL7881109 0.90 AKR1C3 (0.65) KDM4EALDH1A1AKR1C3GAAMAPK1
Hydrochloric Acid SCHEMBL7881101 0.89 KDM4E (0.56) KDM4EALDH1A1AKR1C3GAAMAPK1
Hydrochloric Acid SCHEMBL8628154 0.89 KDM4E (0.56) KDM4EALDH1A1AKR1C3GAAMAPK1
SCHEMBL8628062 0.88 KDM4E (0.69) KDM4EALDH1A1AKR1C3GAAMAPK1
SCHEMBL8630482 0.88 KDM4E (0.50) KDM4EALDH1A1AKR1C3GAAMAPK1
Hydrochloric Acid SCHEMBL7873323 0.88 DRD2 (0.55) KDM4EALDH1A1AKR1C3GAAMAPK1
Hydrochloric Acid SCHEMBL7881233 0.88 KDM4E (0.50) KDM4EALDH1A1AKR1C3GAAMAPK1
Hydrochloric Acid SCHEMBL7873665 0.86 KDM4E (0.49) KDM4EALDH1A1AKR1C3GAAMAPK1

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