SCHEMBL13537912

SCHEMBL13537912

CCCCN1CCCN(c2c(Cl)cc(C(C)(F)F)cc2/C=C2\SC(=O)NC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 4/20 0.41
▸ PIM1 P11309 3/20 0.41
▸ PIM3 Q86V86 3/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ HPGD P15428 5/20 0.39
▸ IGF1R P08069 1/20 0.36
▸ NR1H4 Q96RI1 2/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ESRRA P11474 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ BCL2A1 Q16548 1/20 0.34

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
SCHEMBL1580232 0.94 PIM2 (0.41) PIM2PIM1PIM3HRH3HPGD
SCHEMBL12282264 0.94 PIM2 (0.41) PIM2PIM1PIM3HRH3HPGD
SCHEMBL1580235 0.94 PIM2 (0.41) PIM2PIM1PIM3HRH3HPGD
SCHEMBL13537931 0.89 PIM2 (0.43) PIM2PIM1PIM3HRH3HPGD
SCHEMBL13537625 0.85 PIM2 (0.48) PIM2PIM1PIM3IGF1RNR1H4
SCHEMBL12281622 0.83 PIM2 (0.43) PIM2PIM1PIM3HRH3HPGD
SCHEMBL2424046 0.83 PIM2 (0.43) PIM2PIM1PIM3HRH3HPGD
SCHEMBL2424048 0.83 PIM2 (0.43) PIM2PIM1PIM3HRH3HPGD
SCHEMBL13537785 0.82 PIM2 (0.43) PIM2PIM1PIM3HPGDIGF1R
SCHEMBL13537913 0.82 NR1H4 (0.39) PIM2PIM1PIM3HRH3HPGD

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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