SCHEMBL7879720

SCHEMBL7879720

CN(C)Cc1ccc(COc2ccc(Cl)c3cc(C(=O)N(C)C(=N)N)[nH]c23)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
RAB9A P51151 5/20 0.34
POLB P06746 5/20 0.34
NPC1 O15118 4/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
ACHE P22303 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RHEB Q15382 1/20 0.34
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TP53 P04637 1/20 0.32
HTR2A P28223 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
SCHEMBL7873541 0.92 KMT2A (0.36) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL7882152 0.88 MAPT (0.33) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL7880841 0.88 HTR2A (0.34) ACHEHTR2ASLC6A4
SCHEMBL7877781 0.86 RHEB (0.41) ALDH1A1KMT2AMEN1RAB9ANPC1
SCHEMBL7877467 0.85 MRGPRX4 (0.37) MRGPRX4RHEBHTR2ASLC6A4
Hydrochloric Acid SCHEMBL7881045 0.85 RHEB (0.41) ALDH1A1KMT2AMEN1MRGPRX4SMN1; SMN2
SCHEMBL7881382 0.84 AR (0.40) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL7878281 0.84 HRH3 (0.38) ALDH1A1KMT2AMEN1MRGPRX4CYP2C19
SCHEMBL7884412 0.83 MGMT (0.38) MAPTALDH1A1RAB9ANPC1MRGPRX4
SCHEMBL7879726 0.83 KMT2A (0.35) MAPTALDH1A1PKMKMT2AMEN1

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