SCHEMBL7873261

SCHEMBL7873261

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)ccc(Oc3cc([N+](=O)[O-])ccn3)c2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.32
MAPK10 P53779 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDR P35968 1/20 0.32
ERBB2 P04626 1/20 0.31
PTK6 Q13882 1/20 0.31
CHIT1 Q13231 1/20 0.31
BRAF P15056 2/20 0.30
FBP1 P09467 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
SCHEMBL7873476 0.88 LMNA (0.35) FBP1
SCHEMBL7879845 0.88 MAPK8 (0.34) MAPK8MAPK10BRAF
SCHEMBL7877749 0.85 MEN1 (0.38) CYP1A2CYP2C9CYP2C19KDRCHIT1
SCHEMBL7882210 0.85 BRAF (0.33) KDRBRAFFBP1
SCHEMBL7873833 0.85 MEN1 (0.38) CYP2C9CYP2C19CHIT1FBP1
SCHEMBL7885028 0.84 MAPK8 (0.36) MAPK8MAPK10CHIT1BRAF
SCHEMBL7884525 0.84 APEX1 (0.35) KDRERBB2PTK6CHIT1
SCHEMBL7879751 0.83 RHEB (0.32) MAPK10KDRERBB2PTK6CHIT1
SCHEMBL7873258 0.83 CYP1A2 (0.32) MAPK8MAPK10CYP1A2CYP2C9CYP2C19
SCHEMBL7884795 0.83 SIRT2 (0.37) CYP1A2CYP2C9CYP2C19FBP1

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