SCHEMBL7881920

SCHEMBL7881920

CCN(CC)Cc1ccnc(Oc2cccc3cc(C(=O)N(C)C(=N)N)[nH]c23)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.39
MAPT P10636 4/20 0.39
IDO1 P14902 1/20 0.36
LMNA P02545 2/20 0.35
SYK P43405 4/20 0.34
POLB P06746 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AOC3 Q16853 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
SCN9A Q15858 1/20 0.31

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
SCHEMBL7877745 0.92 IDO1 (0.38) TP53MAPTIDO1LMNASYK
SCHEMBL7956462 0.89 LOXL2 (0.41) TP53MAPTIDO1LOXL2
SCHEMBL7879882 0.85 SYK (0.33) SYKKDM4E
SCHEMBL7879951 0.85 TP53 (0.37) TP53MAPTIDO1LMNASYK
SCHEMBL7880170 0.84 TP53 (0.39) TP53MAPTIDO1LMNASYK
SCHEMBL7877486 0.84 PARP1 (0.35) TP53MAPTIDO1LMNAHRH4
SCHEMBL7882405 0.84 GYS1 (0.39) TP53MAPTIDO1LMNAHRH4
SCHEMBL7881823 0.83 SCN9A (0.30) SCN9A
SCHEMBL7873850 0.83 MAPT (0.39) TP53MAPTIDO1LMNARXFP1
SCHEMBL7880829 0.83 IDO1 (0.40) TP53MAPTIDO1LMNAHRH4

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