SCHEMBL3244205

SCHEMBL3244205

COc1ccc(CN(Cc2cn(-c3ccc(N4CCCCC4=O)cc3)nc2-c2ccncc2)C(=O)Oc2ccc(Cl)s2)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.41
DGAT2 Q96PD7 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
F2 P00734 2/20 0.34
SSTR5 P35346 2/20 0.34
POLB P06746 1/20 0.33
SLC29A1 Q99808 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
SCHEMBL3242238 0.92 F10 (0.39) F10DGAT2KDM4EALDH1A1LMNA
SCHEMBL3246178 0.90 F10 (0.43) F10F2SSTR5
SCHEMBL3508057 0.90 F10 (0.45) F10DGAT2KDM4EALDH1A1LMNA
SCHEMBL12311487 0.84 F10 (0.46) F10KDM4EALDH1A1LMNAF2
SCHEMBL3245401 0.83 F10 (0.41) F10KDM4EALDH1A1F2
SCHEMBL3507659 0.83 F10 (0.43) F10DGAT2KDM4EALDH1A1LMNA
SCHEMBL3508891 0.81 F10 (0.45) F10F2
SCHEMBL3246184 0.79 F10 (0.38) F10DGAT2KDM4EALDH1A1LMNA
SCHEMBL3507730 0.74 F10 (0.45) F10F2SSTR5
SCHEMBL3506367 0.73 F10 (0.43) F10F2

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-2029546-B1 ARYL-SUBSTITUTED HETEROCYCLES, AND USE THEREOF BAYER SCHERING PHARMA AG (DE) 2010-07-28 EP disclosed