SCHEMBL7873666

SCHEMBL7873666

CNC(N)=NC(=O)c1cc2ccc(Oc3ccc(CN4CCCC4)s3)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.38
NPC1 O15118 5/20 0.36
RAB9A P51151 4/20 0.36
KMT2A Q03164 4/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HRH4 Q9H3N8 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 1/20 0.33
BTK Q06187 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL7879715 0.87 KDR (0.32) KDM4EMTNR1AMTNR1BHRH3HSD17B10
SCHEMBL7879948 0.87 FLT3 (0.34) FLT3NPC1RAB9AKMT2ARXFP1
SCHEMBL7879495 0.85 HRH3 (0.32) KDM4EMTNR1AMTNR1BHRH3HSD17B10
SCHEMBL7880874 0.85 RXFP1 (0.42) FLT3NPC1RAB9AKMT2ARXFP1
SCHEMBL7879879 0.84 FLT3 (0.42) FLT3NPC1RAB9AKMT2ARXFP1
SCHEMBL7884576 0.84 KMT2A (0.37) FLT3NPC1RAB9AKMT2ARXFP1
SCHEMBL7881146 0.83 FAAH (0.42) RXFP1KDM4EBTKHRH3
SCHEMBL7880994 0.83 KMT2A (0.34) FLT3NPC1RAB9AKMT2ARXFP1
SCHEMBL7882250 0.82 HRH4 (0.35) HRH4DRD2DRD3HRH3
SCHEMBL7881083 0.82 FAAH (0.42) FLT3KMT2ARXFP1KDM4EBTK

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