SCHEMBL13537913

SCHEMBL13537913

Cc1cc(C(C)(F)F)cc(/C=C2\SC(=O)NC2=O)c1N1CCCN(CCO)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 4/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ TTR P02766 2/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ PIM1 P11309 5/20 0.35
▸ PIM2 Q9P1W9 5/20 0.35
▸ PIM3 Q86V86 3/20 0.35
▸ GLS O94925 1/20 0.35
▸ GLS2 Q9UI32 1/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35

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
SCHEMBL2424046 0.84 PIM2 (0.43) NR1H4HPGDHRH3TTRPIM1
SCHEMBL12281622 0.84 PIM2 (0.43) NR1H4HPGDHRH3TTRPIM1
SCHEMBL2424048 0.84 PIM2 (0.43) NR1H4HPGDHRH3TTRPIM1
SCHEMBL13537931 0.82 PIM2 (0.43) NR1H4HPGDHRH3PIM1PIM2
SCHEMBL13537912 0.82 PIM2 (0.41) NR1H4HPGDHRH3PIM1PIM2
SCHEMBL2424504 0.80 PIM2 (0.45) NR1H4HPGDTTRPIM1PIM2
SCHEMBL12282366 0.80 PIM2 (0.45) NR1H4HPGDTTRPIM1PIM2
SCHEMBL2424501 0.80 PIM2 (0.45) NR1H4HPGDTTRPIM1PIM2
SCHEMBL13537610 0.78 PIM2 (0.50) NR1H4MAPTMEN1NPC1PKM
SCHEMBL13537612 0.77 PIM2 (0.58) NR1H4MAPTMEN1NPC1PKM

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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