SCHEMBL7879622

SCHEMBL7879622

CN(C(=N)N)C(=O)c1cc2cccc(Oc3cccs3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.38
FLT3 P36888 1/20 0.36
AR P10275 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
IDO1 P14902 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 4/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
BCHE P06276 1/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
MGMT P16455 1/20 0.31

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
SCHEMBL7877469 0.85 HRH4 (0.35) HRH4FLT3IDO1ALDH1A1TP53
SCHEMBL7878082 0.84 BRD4 (0.39) HRH4FLT3SMN1; SMN2ALDH1A1TP53
SCHEMBL7873547 0.83 KDM4E (0.32) MMP1MMP2MMP9MMP12IDO1
SCHEMBL7873932 0.83 HRH4 (0.51) HRH4FLT3IDO1SMN1; SMN2ALDH1A1
SCHEMBL7881241 0.83 IDO1 (0.40) HRH4FLT3IDO1TP53MAPT
SCHEMBL7880162 0.83 HRH4 (0.33) HRH4FLT3ARIDO1TP53
SCHEMBL7873374 0.83 HDAC3 (0.39) HRH4FLT3IDO1ALDH1A1TP53
SCHEMBL7879444 0.82 AR (0.34) HRH4FLT3ARIDO1ALDH1A1
Hydrochloric Acid SCHEMBL7881429 0.82 HRH4 (0.50) HRH4FLT3IDO1ALDH1A1TP53
Hydrochloric Acid SCHEMBL7878079 0.82 HDAC3 (0.38) HRH4FLT3IDO1ALDH1A1TP53

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