SCHEMBL7873852

SCHEMBL7873852

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)ccc(Oc3ccccc3CN3CCCCC3)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SCN9A Q15858 6/20 0.37
KDM4E B2RXH2 3/20 0.35
TSHR P16473 3/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 2/20 0.35
LMNA P02545 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
CYP3A4 P08684 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
BRD4 O60885 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
SCHEMBL7877852 0.99 MEN1 (0.38) MEN1KMT2ASCN9AKDM4ETSHR
SCHEMBL7873569 0.89 KMT2A (0.40) MEN1KMT2ASCN9AKDM4ETSHR
SCHEMBL7873980 0.88 KMT2A (0.39) MEN1KMT2ASCN9AKDM4ETSHR
SCHEMBL7882201 0.86 ABL1 (0.32) SCN9ASLC6A4HRH3ATM
SCHEMBL7879865 0.86 HRH3 (0.38) SCN9AKDM4EALDH1A1HRH3
SCHEMBL7877785 0.86 MEN1 (0.42) MEN1KMT2ASCN9AKDM4ETSHR
SCHEMBL7873703 0.86 CCR8 (0.39) SCN9AHRH3
SCHEMBL7882235 0.85 SCN9A (0.38) MEN1KMT2ASCN9AKDM4EALDH1A1
SCHEMBL7877963 0.85 MEN1 (0.41) MEN1KMT2ASCN9ATSHRLMNA
SCHEMBL7880762 0.85 CCR8 (0.39) MEN1KMT2ASCN9AHRH3

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