SCHEMBL7873365

SCHEMBL7873365

CNC(N)=NC(=O)c1cc2c(OC)cc(OCCCN)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
HCRTR1 O43613 1/20 0.40
GLA P06280 1/20 0.40
IDO1 P14902 3/20 0.39
NPC1 O15118 2/20 0.39

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 SCHEMBL7881226 0.99 HDAC3 (0.41) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL7881025 0.95 KMT2A (0.41) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL7884843 0.89 ULK1 (0.50) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL7878071 0.89 HDAC3 (0.40) HDAC3HDAC1HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL7873753 0.88 ULK1 (0.49) HDAC3HDAC1HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL7881381 0.88 HDAC3 (0.39) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL7877876 0.88 FLT3 (0.42) HDAC3HDAC1HDAC4HDAC7HDAC2
SCHEMBL7877853 0.87 KDM4E (0.36) KDM4EGLANPC1RAB9ADRD2
SCHEMBL7884516 0.87 KMT2A (0.40) HDAC3HDAC1HDAC4HDAC7HDAC2
Hydrochloric Acid SCHEMBL8634815 0.86 KDM4E (0.35) KDM4EGLANPC1RAB9ADRD2

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