SCHEMBL7879879

SCHEMBL7879879

CNC(N)=NC(=O)c1cc2ccc(Oc3ccc(CN4CCCCC4)cc3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HRH3 Q9Y5N1 7/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 1/20 0.40
BTK Q06187 2/20 0.40
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CHEK1 O14757 1/20 0.38
ACHE P22303 1/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 2/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL7880874 0.99 RXFP1 (0.42) FLT3RXFP1HRH3KDM4EMAPT
SCHEMBL7881083 0.92 FAAH (0.42) FLT3RXFP1HRH3KDM4EBTK
SCHEMBL7881146 0.91 FAAH (0.42) RXFP1HRH3KDM4EBTK
SCHEMBL7881125 0.89 PARP1 (0.39) FLT3RXFP1BTKNPC1RAB9A
SCHEMBL7877816 0.88 HRH3 (0.41) HRH3KDM4EALDH1A1KMT2ACHEK1
SCHEMBL7879675 0.86 HRH3 (0.39) HRH3KDM4EMAPTALDH1A1CHEK1
SCHEMBL7882024 0.86 SLC6A4 (0.39) FLT3RXFP1BTKNPC1RAB9A
SCHEMBL7881989 0.86 FLT3 (0.40) FLT3RXFP1KDM4EALDH1A1NPC1
SCHEMBL7884270 0.86 KMT2A (0.41) FLT3RXFP1KDM4ENPC1RAB9A
SCHEMBL7882171 0.85 HRH3 (0.38) HRH3KDM4EMAPTALDH1A1CHEK1

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