SCHEMBL11049306

SCHEMBL11049306

N#Cc1cc2c(ccc3sc(CC([NH])=O)nc32)[nH]c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
AKR1B1 P15121 2/20 0.31
MBOAT4 Q96T53 1/20 0.31
MAP4K1 Q92918 1/20 0.31
FASN P49327 2/20 0.31
KDM4E B2RXH2 2/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
NEK1 Q96PY6 1/20 0.30
PDE5A O76074 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
PTGS1 P23219 1/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL4153030 0.77 CSNK2A1 (0.40) KDM4EPDE3BPDE3ARXFP1NEK1
SCHEMBL4159917 0.76 DYRK1A (0.47)
SCHEMBL4157683 0.75 PIM1 (0.37) KDM4EPDE3BPDE3ARXFP1PIM1
SCHEMBL4156006 0.75 CCNA2 (0.35) MAP4K1KDM4EPDE3BPDE3APIM1
SCHEMBL4154216 0.74 SHMT2 (0.38) KDM4EPDE3BPDE3ARXFP1PIM1
SCHEMBL4156018 0.74 HTR2C (0.51) KDM4EPIM1PIM3PIM2LMNA
SCHEMBL4157599 0.73 IDH1 (0.35) KDM4EPDE3BPDE3ARXFP1PIM1
SCHEMBL10967371 0.72 PIM1 (0.38) KDM4ERXFP1PIM1PIM3PIM2
SCHEMBL4160720 0.72 HTR2C (0.46) KDM4ELMNAHPGD
SCHEMBL4163224 0.71 NPC1 (0.41) CRHBPCRHR2KDM4ERXFP1HPGD

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
EP-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed