SCHEMBL10181012

SCHEMBL10181012

O=C(Nc1ccc(Oc2cccc3c2ccn3CC(=O)N2CCN(C(Cc3ccccc3)C3=COCO3)CC2)nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.34
HRH3 Q9Y5N1 2/20 0.34
GCGR P47871 1/20 0.33
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
KCNE1 P15382 2/20 0.33
KCNQ1 P51787 2/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SENP5 Q96HI0 1/20 0.32
SENP2 Q9HC62 1/20 0.32
SENP1 Q9P0U3 1/20 0.32
CYP19A1 P11511 1/20 0.31
CXCR3 P49682 2/20 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
SCHEMBL3059771 0.90 LOXL2 (0.40) LOXL2PTGDR2KDM4EALDH1A1MAPT
SCHEMBL3060418 0.86 HTR2C (0.36) PTGDR2HRH3KCNQ3KCNQ2KCNE1
SCHEMBL3056040 0.84 LOXL2 (0.43) LOXL2HRH3KDM4EMAPTTSHR
SCHEMBL3058094 0.84 LOXL2 (0.44) LOXL2PTGDR2KCNQ3KCNQ2KCNE1
SCHEMBL3061116 0.82 HRH3 (0.37) HRH3KDM4EUSP2ALDH1A1MAPT
SCHEMBL3056414 0.79 MEN1 (0.48) KDM4EUSP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL3067957 0.78 KCNQ3 (0.47) PTGDR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL3065126 0.76 GAA (0.39) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3045763 0.74 KCNQ3 (0.44) PTGDR2GCGRKCNQ3KCNQ2KCNE1
SCHEMBL3061812 0.74 HIF1A (0.53) LOXL2

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