SCHEMBL7873969

SCHEMBL7873969

CNC(N)=NC(=O)c1cc2cccc(Oc3ccc(CN)cc3)c2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.38
PRMT6 Q96LA8 2/20 0.38
IDO1 P14902 1/20 0.37
MMP1 P03956 1/20 0.36
MMP13 P45452 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HRH4 Q9H3N8 4/20 0.35
FLT3 P36888 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
ST14 Q9Y5Y6 3/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
NSD2 O96028 1/20 0.32
SETD2 Q9BYW2 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL7882052 0.92 PLAU (0.38) IDO1MTNR1AMTNR1BDRD2DRD3
SCHEMBL7880204 0.90 LSS (0.36) CARM1PRMT6IDO1MMP1MMP13
SCHEMBL7884340 0.90 HRH4 (0.36) CARM1PRMT6IDO1MTNR1AMTNR1B
SCHEMBL7878084 0.89 BRD4 (0.39) MTNR1AMTNR1BHRH4FLT3NSD2
Hydrochloric Acid SCHEMBL7880730 0.89 HRH4 (0.35) CARM1PRMT6IDO1MTNR1AMTNR1B
SCHEMBL7873721 0.88 ALDH1A1 (0.39) IDO1MTNR1AMTNR1BDRD2DRD3
SCHEMBL7877534 0.87 MMP1 (0.39) MMP1MMP13DRD2DRD3HRH4
SCHEMBL7881245 0.87 IDO1 (0.39) IDO1MTNR1AMTNR1BDRD2DRD3
SCHEMBL7877512 0.86 HRH3 (0.39) MMP1MMP13DRD2DRD3LMNA
SCHEMBL7881991 0.86 MTNR1A (0.35) IDO1MTNR1AMTNR1BHRH4FLT3

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