SCHEMBL4751253

SCHEMBL4751253

CNC(=O)Cn1nc(C2CC2)c(Oc2cc(C)c(C#N)c(C)c2)c1CO

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.40
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL4104626 0.89 PGR (0.42) PGRMEN1KMT2AALDH1A1GLA
SCHEMBL4107682 0.89 PGR (0.46) PGRMEN1KMT2AALDH1A1GLA
SCHEMBL4110642 0.88 PGR (0.41) PGRMEN1KMT2AALDH1A1GLA
SCHEMBL4748729 0.85 KDM4E (0.32) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL4748737 0.83 PGR (0.44) PGRMEN1KMT2AALDH1A1GLA
SCHEMBL4748819 0.83 PGR (0.37) PGRMEN1KMT2AALDH1A1KDM4E
SCHEMBL4752257 0.82 PDE10A (0.34) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL4104566 0.82 PGR (0.46) PGRMEN1KMT2AALDH1A1GLA
SCHEMBL4752250 0.82 BRD2 (0.33) PGRALDH1A1KDM4ELMNA
SCHEMBL4111142 0.80 PGR (0.45) PGRMEN1KMT2AALDH1A1GLA

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