SCHEMBL7873756

SCHEMBL7873756

CCN(CC)CCOc1cc(C)c2cc(C(=O)N=C(N)NC)[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
CHEK1 O14757 2/20 0.36
KDR P35968 2/20 0.36
MAP4K4 O95819 1/20 0.36
LCK P06239 1/20 0.36
CSF1R P07333 1/20 0.36
PIM1 P11309 1/20 0.36
PHKG2 P15735 1/20 0.36
MARK3 P27448 1/20 0.36
FLT3 P36888 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
ITK Q08881 1/20 0.36
MAP4K2 Q12851 1/20 0.36
DYRK1A Q13627 1/20 0.36
MARK2 Q7KZI7 1/20 0.36
PIM3 Q86V86 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
AURKB Q96GD4 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
SCHEMBL7873704 0.95 MAOB (0.38) MAOBHDAC6HRH3KDM4EACHE
SCHEMBL7880968 0.88 KMT2A (0.40) MAOBHDAC6CHEK1KDRMAP4K4
Hydrochloric Acid SCHEMBL7877580 0.88 HDAC6 (0.37) MAOBHDAC6CHEK1KDRMAP4K4
SCHEMBL7881348 0.87 ALK (0.36) MAOBHDAC6CHEK1KDRMAP4K4
SCHEMBL7881142 0.87 PDGFRB (0.39) CHEK1FLT3HRH3PARP1KDM4E
Hydrochloric Acid SCHEMBL7877583 0.87 ALK (0.36) MAOBHDAC6CHEK1KDRMAP4K4
SCHEMBL7882300 0.86 KDM4E (0.34) FLT3DYRK1APOLBKDM4EGAA
Hydrochloric Acid SCHEMBL7884347 0.86 PDGFRB (0.39) CHEK1FLT3HRH3PARP1KDM4E
Hydrochloric Acid SCHEMBL8631088 0.86 PDGFRB (0.39) CHEK1FLT3HRH3PARP1KDM4E
SCHEMBL7873627 0.86 ULK1 (0.47) MAOBHDAC6CHEK1KDRMAP4K4

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 5 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-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