SCHEMBL7879817

SCHEMBL7879817

CNC(N)=NC(=O)c1cc2cccc(Oc3ccccn3)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.41
KDM4E B2RXH2 1/20 0.39
TP53 P04637 3/20 0.39
HTR2C P28335 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
IDO1 P14902 1/20 0.36
BTK Q06187 1/20 0.35
GCK P35557 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
FLT3 P36888 1/20 0.34
SLC1A5 Q15758 1/20 0.34
PDE4D Q08499 2/20 0.34
NSD2 O96028 1/20 0.34
SETD2 Q9BYW2 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 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
SCHEMBL7879954 0.89 SYK (0.36) SYKTP53HTR2CMAPTPOLB
SCHEMBL7873321 0.86 LOXL2 (0.41) IDO1
SCHEMBL7880209 0.84 AURKA (0.37) SYKKDM4EGCKPDE4DPDE4A
SCHEMBL7878084 0.84 BRD4 (0.39) HRH4FLT3NSD2
SCHEMBL7884525 0.84 APEX1 (0.35) SYKKDM4ETP53MAPTIDO1
SCHEMBL7881245 0.84 IDO1 (0.39) SYKTP53MAPTPOLBLMNA
SCHEMBL7877758 0.84 CHUK (0.36) SYKTP53MAPTPOLBLMNA
SCHEMBL7873378 0.83 HDAC3 (0.40) TP53IDO1HRH4FLT3NSD2
SCHEMBL7885028 0.83 MAPK8 (0.36) SYKGCKPDE4DPDE4APDE4B
Hydrochloric Acid SCHEMBL7878081 0.82 HDAC3 (0.40) TP53IDO1HRH4FLT3NSD2

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