SCHEMBL7880955

SCHEMBL7880955

CN(C)Cc1cccc(COc2cc(Cl)c3cc(C(=O)N(C)C(=N)N)[nH]c3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
PARP1 P09874 1/20 0.36
CFD P00746 1/20 0.36
MGMT P16455 1/20 0.36
F2 P00734 4/20 0.35
NOS1 P29475 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NOS2 P35228 1/20 0.35
ALOX5 P09917 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL7884598 0.92 GYS1 (0.37) MAOBCFDF2MEN1KMT2A
SCHEMBL7877987 0.92 MRGPRX4 (0.36) MAOBCFDF2MEN1KMT2A
SCHEMBL7873532 0.92 MAP2 (0.38) MAOBF2MEN1KMT2ARXFP1
Hydrochloric Acid SCHEMBL7873286 0.91 MAP2 (0.37) MAOBF2NOS1MEN1KMT2A
Hydrochloric Acid SCHEMBL7881035 0.89 MAOB (0.36) MAOBCFDF2MEN1KMT2A
SCHEMBL7881478 0.88 PPARG (0.40) PARP1F2MEN1KMT2ARXFP1
SCHEMBL7881416 0.87 MAOB (0.36) MAOBF2ALOX5
SCHEMBL7881394 0.87 MAOB (0.37) MAOBCFDMGMTF2NOS1
SCHEMBL7873843 0.86 RHEB (0.34) MAOBF2MEN1KMT2ARXFP1
Hydrochloric Acid SCHEMBL7879399 0.86 MAOB (0.37) MAOBF2ALOX5

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