SCHEMBL7873267

SCHEMBL7873267

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)cc(Oc3ccc([N+](=O)[O-])s3)cc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
RHEB Q15382 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7884878 0.87 KMT2A (0.32) ATMRHEBMEN1KMT2AALDH1A1
SCHEMBL7873841 0.87 RHEB (0.35) RHEB
SCHEMBL7882106 0.84 RHEB (0.33) RHEB
SCHEMBL7884282 0.84 MEN1 (0.39) RHEBMEN1KMT2AALDH1A1MAPT
SCHEMBL7881932 0.84 RHEB (0.36) RHEBALDH1A1MAPTLMNAL3MBTL1
SCHEMBL7880187 0.84 RHEB (0.33) RHEB
SCHEMBL7884335 0.84 ATM (0.34) ATMMEN1KMT2AALDH1A1MAPT
SCHEMBL7881344 0.82 RHEB (0.35) RHEB
SCHEMBL7881254 0.82 MEN1 (0.38) ATMMEN1KMT2AALDH1A1MAPT
SCHEMBL7873272 0.82 ATM (0.34) ATMRHEBMEN1KMT2AALDH1A1

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