SCHEMBL4748730

SCHEMBL4748730

Cc1cc(Oc2c(CO)nn(CS(C)(=O)=O)c2C2CCC2)cc(C)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 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
SCHEMBL14022483 0.96 PGR (0.41) PGRALDH1A1LMNAKDM4EMEN1
SCHEMBL4608002 0.84 PGR (0.44) PGRALDH1A1LMNAKDM4EMEN1
SCHEMBL4607471 0.83 PGR (0.43) PGRALDH1A1LMNAKDM4EMEN1
SCHEMBL4904300 0.83 PGR (0.34) PGRALDH1A1LMNAKDM4EMEN1
SCHEMBL4608195 0.82 PGR (0.42) PGRALDH1A1LMNAKDM4EMEN1
SCHEMBL4751237 0.81 KDM4E (0.32) PGRKDM4EMEN1KMT2A
SCHEMBL4820235 0.80 PGR (0.39) PGRALDH1A1LMNAKDM4EMEN1
SCHEMBL4748737 0.79 PGR (0.44) PGRALDH1A1LMNAKDM4EMEN1
SCHEMBL4748819 0.79 PGR (0.37) PGRALDH1A1LMNAKDM4EMEN1
SCHEMBL14022484 0.79 KDM4E (0.33) PGRALDH1A1LMNAKDM4EMEN1

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-2008135824-A1 OXYALKYLPYRAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2008-11-13 WO disclosed