SCHEMBL7873980

SCHEMBL7873980

CNC(N)=NC(=O)c1cc2c(Cl)ccc(Oc3ccccc3CN3CCCC3)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CCR8 P51685 6/20 0.38
KCNH2 Q12809 6/20 0.38
PTPN11 Q06124 1/20 0.35
CYP2D6 P10635 3/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
BRD4 O60885 1/20 0.34
CYP1A2 P05177 1/20 0.34
SCN9A Q15858 1/20 0.34
TACR2 P21452 1/20 0.34
TACR1 P25103 1/20 0.34
TACR3 P29371 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
SCHEMBL7873569 0.99 KMT2A (0.40) KMT2AMEN1CCR8KCNH2PTPN11
SCHEMBL7877852 0.88 MEN1 (0.38) KMT2AMEN1CCR8KCNH2TSHR
SCHEMBL7873852 0.88 MEN1 (0.39) KMT2AMEN1TSHRKDM4EALDH1A1
SCHEMBL7877963 0.87 MEN1 (0.41) KMT2AMEN1CCR8KCNH2PTPN11
SCHEMBL7879460 0.87 CYP3A4 (0.37) KCNH2CYP2D6BRD4
SCHEMBL7877785 0.86 MEN1 (0.42) KMT2AMEN1CCR8KCNH2PTPN11
SCHEMBL7881391 0.86 HRH3 (0.39) KDM4EALDH1A1ACHE
SCHEMBL7879922 0.85 HRH3 (0.40) KDM4EALDH1A1ACHE
SCHEMBL7884755 0.85 KDM4E (0.40) CCR8KCNH2KDM4EALDH1A1
SCHEMBL7882273 0.84 KDM4E (0.41) CCR8KCNH2KDM4EALDH1A1

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