SCHEMBL7882189

SCHEMBL7882189

Cc1ccc(OCc2ccccn2)c2[nH]c(C(=O)N(C)C(=N)N)cc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.41
AURKB Q96GD4 2/20 0.41
INCENP Q9NQS7 2/20 0.41
MAPK14 Q16539 1/20 0.38
SMO Q99835 1/20 0.38
BRD4 O60885 2/20 0.37
PARP10 Q53GL7 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL7873909 0.96 SYK (0.38) SYKAURKBINCENPMAPK14SMO
SCHEMBL7882009 0.81 KDM4E (0.49) KDM4EALDH1A1
SCHEMBL7884290 0.81 ALDH1A1 (0.35) SYKBRD4ALDH1A1
Hydrochloric Acid SCHEMBL7880940 0.81 KDM4E (0.48) MAPK14KDM4EALDH1A1
SCHEMBL7884302 0.80 KDM4E (0.35) AURKBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7881299 0.80 TOP2A (0.35) AURKBKDM4EALDH1A1
SCHEMBL7880887 0.80 PTGDR2 (0.33) BRD4KDM4EALDH1A1
SCHEMBL7879635 0.80 MRGPRX1 (0.39) BRD4NOS3NOS1NOS2
SCHEMBL7879650 0.79 ALDH1A1 (0.39) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7879936 0.79 KDM4E (0.37) KDM4EALDH1A1

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