SCHEMBL7873414

SCHEMBL7873414

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SCN9A Q15858 7/20 0.38
HTR3A P46098 1/20 0.36
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 3/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPN11 Q06124 1/20 0.35
LMNA P02545 1/20 0.35
RHEB Q15382 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7877751 0.99 MEN1 (0.39) MEN1KMT2ASCN9AHTR3AALDH1A1
SCHEMBL7884288 0.89 MEN1 (0.38) MEN1KMT2ASCN9AHTR3AALDH1A1
SCHEMBL7879708 0.88 MEN1 (0.40) MEN1KMT2ASCN9AHTR3AALDH1A1
SCHEMBL7884861 0.87 RHEB (0.38) SCN9ARHEB
SCHEMBL7881044 0.86 SCN9A (0.38) SCN9AHTR3AALDH1A1MAPTKDM4E
SCHEMBL7879812 0.85 FAAH (0.40) MEN1KMT2ASCN9AKDM4E
SCHEMBL7882171 0.85 HRH3 (0.38) SCN9AHTR3AALDH1A1MAPTKDM4E
SCHEMBL7878198 0.85 SLC6A4 (0.40) SCN9ARHEB
SCHEMBL7873684 0.85 KMT2A (0.39) MEN1KMT2ASCN9AKDM4EPTPN11
SCHEMBL7878049 0.85 FAAH (0.40) SCN9AHTR3AKDM4E

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