SCHEMBL13537641

SCHEMBL13537641

CC(F)(F)c1ccc(N2CCNCC2)c(/C=C2\SC(=O)NC2=O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 9/20 0.63
▸ PIM2 Q9P1W9 9/20 0.63
▸ PIM3 Q86V86 7/20 0.63
▸ NR1H4 Q96RI1 3/20 0.47
▸ TTR P02766 2/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ PTPN1 P18031 2/20 0.41
▸ IGF1R P08069 1/20 0.41

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
SCHEMBL12282336 0.91 PIM1 (0.65) PIM1PIM2PIM3NR1H4TTR
Hydrochloric Acid SCHEMBL2424222 0.90 PIM1 (0.64) PIM1PIM2PIM3NR1H4TTR
Hydrochloric Acid SCHEMBL2424216 0.90 PIM1 (0.64) PIM1PIM2PIM3NR1H4TTR
Hydrochloric Acid SCHEMBL2424218 0.90 PIM1 (0.64) PIM1PIM2PIM3NR1H4TTR
SCHEMBL13537622 0.84 NR1H4 (0.47) PIM1PIM2PIM3NR1H4TTR
SCHEMBL13537960 0.83 PIM2 (0.66) PIM1PIM2PIM3NR1H4
SCHEMBL13537962 0.83 GPR119 (0.49) PIM1PIM2PIM3NR1H4PTPN1
SCHEMBL1580364 0.78 PIM2 (1.00) PIM1PIM2PIM3TTRMEN1
SCHEMBL1580360 0.78 PIM2 (1.00) PIM1PIM2PIM3TTRMEN1
SCHEMBL2425657 0.77 GPR119 (0.49) PIM1PIM2PIM3NR1H4TTR

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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