SCHEMBL7873408

SCHEMBL7873408

CN(C(=N)N)C(=O)c1cc2c(C(F)(F)F)cc(Oc3ccccc3CN3CCCC3)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 3/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
RHEB Q15382 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
HIF1A Q16665 1/20 0.34
HTR3A P46098 1/20 0.34

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
SCHEMBL7877750 0.99 MEN1 (0.38) SCN9AMEN1KMT2AALDH1A1MAPT
SCHEMBL7884286 0.88 MEN1 (0.38) SCN9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL7884854 0.88 RHEB (0.37) SCN9AMEN1KMT2ARHEB
SCHEMBL7879705 0.87 MEN1 (0.40) SCN9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL7878193 0.87 SLC6A4 (0.41) SCN9ARHEB
SCHEMBL7881038 0.86 SCN9A (0.40) SCN9AMAPTKDM4ERHEB
SCHEMBL7879808 0.86 SCN9A (0.40) SCN9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL7877849 0.85 MEN1 (0.38) SCN9AMEN1KMT2AALDH1A1MAPT
SCHEMBL7882167 0.85 SCN9A (0.39) SCN9AALDH1A1MAPTKDM4ERHEB
SCHEMBL7878045 0.85 SCN9A (0.39) SCN9AMEN1KMT2AALDH1A1KDM4E

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