SCHEMBL13537656

SCHEMBL13537656

O=C1NC(=O)/C(=C/c2ccccc2N2CCCC2)S1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 14/20 0.80
PIM3 Q86V86 14/20 0.80
PIM2 Q9P1W9 14/20 0.80
TTR P02766 2/20 0.59
MEN1 O00255 1/20 0.59
AKR1B1 P15121 1/20 0.59
KMT2A Q03164 1/20 0.59
NAT1 P18440 1/20 0.58
IGF1R P08069 1/20 0.58
GSK3B P49841 1/20 0.55
STK17B O94768 2/20 0.54
BCL2 P10415 2/20 0.54
CSNK2A2 P19784 2/20 0.54
CDK7 P50613 2/20 0.54
DAPK1 P53355 2/20 0.54
CAMK4 Q16566 2/20 0.54
MAPK15 Q8TD08 2/20 0.54
PNPLA2 Q96AD5 2/20 0.54
HIPK3 Q9H422 2/20 0.54
TDP2 O95551 1/20 0.53

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
SCHEMBL12284109 0.90 PIM1 (0.90) PIM1PIM3PIM2TTRMEN1
SCHEMBL1580360 0.89 PIM2 (1.00) PIM1PIM3PIM2TTRMEN1
SCHEMBL1580364 0.89 PIM2 (1.00) PIM1PIM3PIM2TTRMEN1
Hydrochloric Acid SCHEMBL2423491 0.89 PIM1 (0.88) PIM1PIM3PIM2TTRMEN1
Hydrochloric Acid SCHEMBL2423494 0.89 PIM1 (0.88) PIM1PIM3PIM2TTRMEN1
SCHEMBL5606599 0.88 PIM2 (0.74) PIM1PIM3PIM2TTRMEN1
SCHEMBL2421824 0.88 PIM1 (0.74) PIM1PIM3PIM2TTRMEN1
Hydrochloric Acid SCHEMBL2427427 0.88 PIM2 (0.97) PIM1PIM3PIM2TTRMEN1
SCHEMBL1579117 0.88 PIM2 (0.74) PIM1PIM3PIM2TTRMEN1
Hydrochloric Acid SCHEMBL2427429 0.88 PIM2 (0.97) PIM1PIM3PIM2TTRMEN1

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