SCHEMBL7879495

SCHEMBL7879495

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)cc(Oc3ccc(CN4CCCC4)s3)cc2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
NEK2 P51955 1/20 0.32
SCN9A Q15858 2/20 0.32
EPHX2 P34913 3/20 0.31
RHEB Q15382 1/20 0.31
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7879715 0.89 KDR (0.32) HRH3RHEBMTNR1AMTNR1BKDM4E
SCHEMBL7882109 0.88 RHEB (0.34) RHEB
SCHEMBL7880191 0.85 RHEB (0.33) RHEB
SCHEMBL7881044 0.85 SCN9A (0.38) HRH3SCN9ARHEBKDM4EALDH1A1
SCHEMBL7873666 0.85 FLT3 (0.38) HRH3MTNR1AMTNR1BKDM4EHSD17B10
SCHEMBL7877831 0.85 KDM4E (0.34) HRH3SCN9ARHEBMTNR1AMTNR1B
SCHEMBL7882171 0.85 HRH3 (0.38) HRH3SCN9ARHEBKDM4EALDH1A1
SCHEMBL7881066 0.84 HRH3 (0.35) HRH3NEK2SCN9AEPHX2HIF1A
SCHEMBL7879896 0.84 RHEB (0.32) RHEB
SCHEMBL7879493 0.83 SCN9A (0.33) HRH3NEK2SCN9AEPHX2RHEB

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