SCHEMBL7879954

SCHEMBL7879954

CNC(N)=NC(=O)c1cc2cccc(Oc3cc(N)ccn3)c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.36
IDO1 P14902 1/20 0.36
PTPN11 Q06124 1/20 0.35
TP53 P04637 4/20 0.35
HRH4 Q9H3N8 4/20 0.34
MAPT P10636 4/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
FLT3 P36888 1/20 0.34
HTR2C P28335 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
NSD2 O96028 1/20 0.32
SETD2 Q9BYW2 1/20 0.32
THRB P10828 1/20 0.31
ERBB2 P04626 1/20 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
SCHEMBL7879817 0.89 SYK (0.41) SYKIDO1TP53HRH4MAPT
SCHEMBL7873321 0.89 LOXL2 (0.41) IDO1
SCHEMBL7884525 0.87 APEX1 (0.35) SYKIDO1TP53MAPTERBB2
SCHEMBL7877758 0.86 CHUK (0.36) SYKIDO1TP53HRH4MAPT
SCHEMBL7879829 0.85 MET (0.37) SYKIDO1PTPN11TP53HRH4
SCHEMBL7881928 0.85 IDO1 (0.35) SYKIDO1TP53HRH4MAPT
SCHEMBL7881906 0.85 CARM1 (0.36) IDO1HRH4FLT3HDAC3HDAC1
SCHEMBL7884340 0.84 HRH4 (0.36) IDO1HRH4FLT3HDAC3HDAC1
SCHEMBL7877493 0.84 SLC2A1 (0.36) IDO1TP53HRH4LMNA
SCHEMBL7881278 0.83 PTPN11 (0.34) SYKIDO1PTPN11

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