SCHEMBL7873547

SCHEMBL7873547

CN(C(=N)N)C(=O)c1cc2c(Cl)ccc(Oc3cccs3)c2[nH]1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 1/20 0.30
FBP1 P09467 1/20 0.30

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
SCHEMBL7884656 0.87 SLC6A9 (0.33) KDM4EHPGDALDH1A1
SCHEMBL7879628 0.85 KDM4E (0.32) KDM4EHPGDIDO1TDO2
SCHEMBL7881841 0.84 RHEB (0.45) KDM4EHPGDNPC1TSHRRAB9A
SCHEMBL7879622 0.83 HRH4 (0.38) KDM4EHPGDTSHRIDO1ALDH1A1
SCHEMBL7881031 0.82 RHEB (0.34) KDM4EHPGDIDO1TDO2FBP1
SCHEMBL7884575 0.82 TSHR (0.34) KDM4EHPGDNPC1TSHRRAB9A
SCHEMBL7879767 0.82 PRSS1 (0.30) KDM4EHPGD
SCHEMBL7881961 0.82 HTR2A (0.33)
Hydrochloric Acid SCHEMBL7880003 0.82 TSHR (0.34) KDM4EHPGDNPC1TSHRRAB9A
SCHEMBL7873263 0.81 HTR2A (0.37) KDM4EHPGDIDO1TDO2FBP1

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