SCHEMBL7873258

SCHEMBL7873258

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

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
BRAF P15056 2/20 0.31
MAPK8 P45983 2/20 0.31
MAPK10 P53779 2/20 0.31
FBP1 P09467 1/20 0.30
KDR P35968 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
SCHEMBL7873473 0.89 LMNA (0.35) ALDH1A1FBP1
SCHEMBL7879836 0.88 BRAF (0.33) BRAFMAPK8MAPK10
SCHEMBL7877744 0.85 HSPB1 (0.36) CYP1A2CYP2C9CYP2C19ALDH1A1FBP1
SCHEMBL7882205 0.85 BRAF (0.35) BRAFFBP1KDR
SCHEMBL7873832 0.85 F10 (0.38) ALDH1A1FBP1
SCHEMBL7877954 0.85 LOXL2 (0.37)
SCHEMBL7885023 0.84 PDE4A (0.36) BRAFMAPK8MAPK10
SCHEMBL7879746 0.84 RHEB (0.32) ALDH1A1
SCHEMBL7873914 0.84 BRAF (0.32) BRAFMAPK8MAPK10
SCHEMBL7873261 0.83 MAPK8 (0.32) CYP1A2CYP2C9CYP2C19BRAFMAPK8

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