SCHEMBL14735017

SCHEMBL14735017

CC(C)(C)OC(=O)N1CCN(Cc2c(OCc3ccccc3)ccc3c2O/C(=C\c2n[nH]c4ccccc24)C3=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 18/20 0.56
▸ PIM2 Q9P1W9 5/20 0.43
▸ PIM3 Q86V86 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NSD2 O96028 1/20 0.38

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
SCHEMBL14886997 0.92 PIM1 (0.50) PIM1PIM2PIM3KDM4EMEN1
SCHEMBL14735288 0.91 PIM1 (0.61) PIM1PIM2PIM3KDM4EMEN1
SCHEMBL14735290 0.91 PIM1 (0.61) PIM1PIM2PIM3KDM4EMEN1
SCHEMBL14734942 0.86 PIM1 (0.75) PIM1PIM2PIM3
SCHEMBL14734945 0.86 PIM1 (0.75) PIM1PIM2PIM3
SCHEMBL14735018 0.84 PIM1 (0.53) PIM1PIM2PIM3KDM4EMEN1
SCHEMBL14735563 0.84 PIM1 (0.54) PIM1PIM2PIM3KDM4EMEN1
SCHEMBL14735565 0.84 PIM1 (0.54) PIM1PIM2PIM3KDM4EMEN1
SCHEMBL14887118 0.84 PIM1 (0.49) PIM1KDM4EMEN1USP2ALDH1A1
SCHEMBL14887057 0.84 PIM1 (0.44) PIM1PIM2PIM3MEN1USP2

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-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 — — EP disclosed
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