SCHEMBL10180856

SCHEMBL10180856

Cn1c(C(=O)N2CCN(C(Cc3ccccc3)C3=COCO3)CC2)cc2cc(Oc3ccc(NCc4ccc(Cl)c(Cl)c4)cn3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
STAT3 P40763 11/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
Bromide SCHEMBL3060752 0.99 HRH3 (0.39) HRH3STAT3MEN1KMT2ASLC6A2
SCHEMBL3064149 0.90 STAT3 (0.37) HRH3STAT3MEN1KMT2A
SCHEMBL3065457 0.89 STAT3 (0.38) HRH3STAT3MEN1KMT2A
SCHEMBL3057097 0.85 STAT3 (0.39) HRH3STAT3MEN1KMT2A
Bromide SCHEMBL3062614 0.84 STAT3 (0.46) STAT3
SCHEMBL3056039 0.83 STAT3 (0.38) HRH3STAT3MEN1KMT2A
SCHEMBL3046919 0.80 SCN9A (0.43) HRH3STAT3MEN1KMT2A
SCHEMBL10180503 0.79 STAT3 (0.45) STAT3
SCHEMBL10180858 0.79 MEN1 (0.48) STAT3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL3057678 0.79 HRH3 (0.41) HRH3STAT3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed