SCHEMBL7884339

SCHEMBL7884339

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)ccc(Oc3ccc([N+](=O)[O-])s3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
SLC9A1 P19634 3/20 0.33
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
FBP1 P09467 2/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NSD2 O96028 1/20 0.30
POLB P06746 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 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
SCHEMBL7885036 0.88 FBP1 (0.34) ATMSLC9A1MAPTFBP1HTT
SCHEMBL7879839 0.87 SLC9A1 (0.36) SLC9A1KDM4E
SCHEMBL7884871 0.84 L3MBTL1 (0.38) MAPTALDH1A1FBP1HTTL3MBTL1
SCHEMBL7873328 0.84 SLC9A1 (0.34) SLC9A1
SCHEMBL7885047 0.83 APEX1 (0.38) ATMSLC9A1MAPTFBP1MEN1
SCHEMBL7877749 0.83 MEN1 (0.38) MAPTALDH1A1FBP1MEN1PKM
SCHEMBL7884335 0.83 ATM (0.34) ATMMAPTALDH1A1FBP1MEN1
SCHEMBL7873272 0.83 ATM (0.34) ATMSLC9A1MAPTALDH1A1MEN1
SCHEMBL7878072 0.82 SLC9A1 (0.33) SLC9A1
SCHEMBL7884659 0.82 SLC9A1 (0.36) SLC9A1MAPTALDH1A1MEN1KMT2A

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