SCHEMBL13538077

SCHEMBL13538077

CC(F)(F)c1cc(Cl)c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(/C=C2\SC(=O)NC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.46
▸ DCTPP1 Q9H773 1/20 0.45
▸ BCL2A1 Q16548 1/20 0.42
▸ LMNA P02545 4/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ IGF1R P08069 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL12281977 0.94 HPGD (0.47) HPGDDCTPP1BCL2A1LMNAPIM1
SCHEMBL2423643 0.94 HPGD (0.47) HPGDDCTPP1BCL2A1LMNAPIM1
SCHEMBL2423642 0.94 HPGD (0.47) HPGDDCTPP1BCL2A1LMNAPIM1
SCHEMBL13537995 0.84 PARP1 (0.49) HPGDPIM1PIM3PIM2KDM4E
SCHEMBL13537625 0.79 PIM2 (0.48) PIM1PIM3PIM2SMN1; SMN2IGF1R
SCHEMBL13537785 0.79 PIM2 (0.43) HPGDPIM1PIM3PIM2IGF1R
SCHEMBL13537931 0.79 PIM2 (0.43) HPGDPIM1PIM3PIM2IGF1R
SCHEMBL1580477 0.79 PIM1 (0.45) PIM1PIM3PIM2SMN1; SMN2
SCHEMBL12282171 0.79 PIM1 (0.45) PIM1PIM3PIM2SMN1; SMN2
SCHEMBL1580475 0.79 PIM1 (0.45) PIM1PIM3PIM2SMN1; SMN2

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
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — WO disclosed
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