SCHEMBL7877501

SCHEMBL7877501

CNC(N)=NC(=O)c1cc2ccc(Oc3cccc(CN)c3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
BTK Q06187 1/20 0.39
XDH P47989 1/20 0.39
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 4/20 0.38
FLT3 P36888 3/20 0.38
PDGFRB P09619 2/20 0.38
PDGFRA P16234 2/20 0.38
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36

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
SCHEMBL7881191 0.93 KMT2A (0.39) KMT2AMEN1PPARGPPARDPPARA
SCHEMBL7884243 0.89 MEN1 (0.45) KMT2AMEN1PPARGPPARDPPARA
SCHEMBL7878034 0.88 FLT3 (0.47) KMT2AMEN1NPC1RAB9ARXFP1
SCHEMBL7882069 0.87 XDH (0.51) KMT2AMEN1NPC1RAB9ARXFP1
SCHEMBL7877886 0.87 XDH (0.41) KMT2AMEN1PPARGPPARDPPARA
SCHEMBL7881146 0.86 FAAH (0.42) RXFP1BTK
SCHEMBL7880854 0.85 PPARG (0.40) PPARGPPARDPPARABTKFLT3
SCHEMBL7881083 0.85 FAAH (0.42) KMT2AMEN1RXFP1BTKFLT3
SCHEMBL7877995 0.85 FLT3 (0.47) KMT2AMEN1NPC1RAB9ARXFP1
SCHEMBL7881902 0.85 LOXL2 (0.46)

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