SCHEMBL7873340

SCHEMBL7873340

CNC(N)=NC(=O)c1cc2ccc(Oc3ccc(CN(C)C)cc3)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FLT3 P36888 4/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
XDH P47989 1/20 0.37
LSS P48449 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
ALOX15 P16050 1/20 0.36
MAP2 P11137 1/20 0.35
LGALS8 O00214 1/20 0.35
MMP3 P08254 1/20 0.35
MMP10 P09238 1/20 0.35

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
SCHEMBL7884243 0.92 MEN1 (0.45) KMT2AMEN1RXFP1FLT3NPC1
SCHEMBL7877814 0.91 KMT2A (0.39) KMT2AMEN1RXFP1FLT3NPC1
SCHEMBL7877734 0.90 FLT3 (0.46) KMT2AMEN1RXFP1FLT3LSS
SCHEMBL7881191 0.90 KMT2A (0.39) KMT2AMEN1RXFP1FLT3NPC1
SCHEMBL7884570 0.87 MEN1 (0.38) KMT2AMEN1RXFP1FLT3NPC1
SCHEMBL7884357 0.87 KMT2A (0.37) KMT2AMEN1RXFP1FLT3NPC1
SCHEMBL7877544 0.86 SLC6A4 (0.38) KMT2AMEN1RXFP1FLT3MAP2
SCHEMBL7882069 0.86 XDH (0.51) KMT2AMEN1RXFP1FLT3NPC1
SCHEMBL7873594 0.86 XDH (0.40) KMT2AMEN1FLT3NPC1RAB9A
Hydrochloric Acid SCHEMBL7881328 0.85 SLC6A4 (0.37) KMT2AMEN1RXFP1FLT3MAP2

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