SCHEMBL7882012

SCHEMBL7882012

CNC(N)=NC(=O)c1cc2c(C)ccc(OC)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KLF5 Q13887 2/20 0.43
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 5/20 0.36
SLC9A1 P19634 3/20 0.36
NQO2 P16083 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36

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 SCHEMBL7880942 0.99 KDM4E (0.48) KDM4EHPGDKMT2AMEN1POLB
SCHEMBL7873287 0.95 KDM4E (0.45) KDM4EHPGDKMT2AMEN1POLB
SCHEMBL7884346 0.85 KDM4E (0.42) KDM4EHPGDKMT2AMEN1POLB
SCHEMBL7884308 0.84 KDM4E (0.33) KDM4EHPGDKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL7881306 0.84 TOP2A (0.37) KDM4EHPGDKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL7881360 0.84 KDM4E (0.45) KDM4EHPGDKMT2AMEN1POLB
SCHEMBL7877812 0.83 SLC9A1 (0.36) KDM4EHPGDIDO1TDO2SLC9A1
Hydrochloric Acid SCHEMBL7881285 0.83 BRD4 (0.35) KDM4EHPGDKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL7884332 0.83 TOP2A (0.33) KDM4EHPGDKMT2AMEN1POLB
SCHEMBL7873668 0.83 KDM4E (0.40) KDM4EHPGDKMT2AMEN1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
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-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed