SCHEMBL3242238

SCHEMBL3242238

COc1ccc(CN(Cc2cn(-c3ccc(N4CCCCC4=O)cc3)nc2-c2cccnc2)C(=O)Oc2ccc(Cl)s2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.39
DGAT2 Q96PD7 1/20 0.38
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SSTR5 P35346 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL3245401 0.91 F10 (0.41) F10ALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL3507659 0.91 F10 (0.43) F10DGAT2ALDH1A1KDM4ELMNA
SCHEMBL12311487 0.83 F10 (0.46) F10ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3246178 0.83 F10 (0.43) F10SSTR5
SCHEMBL3508057 0.83 F10 (0.45) F10DGAT2ALDH1A1KDM4ELMNA
SCHEMBL3506367 0.81 F10 (0.43) F10
SCHEMBL3507693 0.78 L3MBTL1 (0.40) ALDH1A1KDM4ETP53SMN1; SMN2OPRM1
SCHEMBL3507730 0.74 F10 (0.45) F10SSTR5
SCHEMBL3508891 0.73 F10 (0.45) F10
SCHEMBL8225103 0.73 F10 (0.47) F10DGAT2

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