SCHEMBL7879698

SCHEMBL7879698

CN(C)Cc1cc(Oc2cccc3cc(C(=O)N(C)C(=N)N)[nH]c23)ccn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.36
MAPT P10636 5/20 0.36
IDO1 P14902 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 3/20 0.34
POLB P06746 1/20 0.34
BRAF P15056 2/20 0.34
SYK P43405 1/20 0.33
F10 P00742 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
FLT3 P36888 1/20 0.32
LNPEP Q9UIQ6 1/20 0.31
THRB P10828 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
SCHEMBL7880170 0.92 TP53 (0.39) TP53MAPTIDO1KDM4ELMNA
SCHEMBL7879616 0.88 SLC6A4 (0.39) TP53MAPTIDO1LMNADRD2
SCHEMBL7879823 0.87 MET (0.36) TP53MAPTIDO1BRAFSYK
SCHEMBL7873462 0.85 F10 (0.42) TP53MAPTIDO1LMNAF10
SCHEMBL7877833 0.85 SLC6A4 (0.38) BRAFSYK
SCHEMBL7881241 0.85 IDO1 (0.40) TP53MAPTIDO1KDM4ELMNA
SCHEMBL7880200 0.84 RXFP1 (0.38) TP53MAPTIDO1LMNADRD2
SCHEMBL7877745 0.84 IDO1 (0.38) TP53MAPTIDO1LMNAPOLB
SCHEMBL7879820 0.83 APEX1 (0.35) TP53MAPTIDO1KDM4EBRAF
SCHEMBL7881800 0.82 BRAF (0.37) BRAF

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