SCHEMBL7873462

SCHEMBL7873462

CN(C)Cc1cccc(Oc2cccc3cc(C(=O)N(C)C(=N)N)[nH]c23)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.42
F2 P00734 1/20 0.42
IDO1 P14902 1/20 0.38
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
F3 P13726 1/20 0.34

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
SCHEMBL7880200 0.91 RXFP1 (0.38) IDO1RXFP1HRH4PARP1MEN1
SCHEMBL7882045 0.91 F10 (0.41) F10IDO1RXFP1HRH4MEN1
SCHEMBL7879704 0.89 IDO1 (0.41) F10F2IDO1ROCK2ROCK1
SCHEMBL7878082 0.87 BRD4 (0.39) F10F2HRH4MEN1KMT2A
SCHEMBL7880985 0.86 MGMT (0.42) F2IDO1RXFP1HRH4PARP1
SCHEMBL7881903 0.86 F10 (0.37) F10F2IDO1HRH4TP53
SCHEMBL7873728 0.86 SLC6A4 (0.41) F10F2ROCK2PARP1MEN1
SCHEMBL7877794 0.85 CCR8 (0.41) MEN1KMT2A
SCHEMBL7877745 0.85 IDO1 (0.38) F10F2IDO1RXFP1HRH4
SCHEMBL7879698 0.85 TP53 (0.36) F10IDO1HRH4TP53MAPT

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