SCHEMBL7873545

SCHEMBL7873545

CNC(N)=NC(=O)c1cc2c(Cl)ccc(OCc3ccc(CN)o3)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 4/20 0.35
POLB P06746 4/20 0.35
MAPT P10636 4/20 0.35
TP53 P04637 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 4/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
RHEB Q15382 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 2/20 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
SCHEMBL7879726 0.90 KMT2A (0.35) KMT2AMEN1POLBMAPTTP53
SCHEMBL7873970 0.88 KDM4E (0.30) KDM4EHPGD
SCHEMBL7884285 0.87 NPC1 (0.30) KMT2AMEN1POLBMAPTNPC1
SCHEMBL7880031 0.86 RHEB (0.41) MRGPRX4RHEB
SCHEMBL7881268 0.85 MRGPRX4 (0.37) MRGPRX4RHEB
Hydrochloric Acid SCHEMBL7877846 0.85 RHEB (0.41) MRGPRX4RHEB
SCHEMBL7873285 0.84 MAPT (0.39) KMT2AMEN1POLBMAPTNPC1
SCHEMBL7880728 0.84 HDAC8 (0.38) KMT2AMEN1MAPTMRGPRX4RHEB
SCHEMBL8975389 0.83 TOP2A (0.37) GAAKDM4EHPGDTDP1SMN1; SMN2
SCHEMBL7873391 0.83 MRGPRX4 (0.43) MRGPRX4

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