SCHEMBL4748737

SCHEMBL4748737

CNC(=O)Cn1nc(CO)c(Oc2cc(C)c(C#N)c(C)c2)c1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.44
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
MAPK13 O15264 2/20 0.32
MAPK12 P53778 2/20 0.32
MAPK11 Q15759 2/20 0.32
MAPK14 Q16539 2/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 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
SCHEMBL4104566 0.89 PGR (0.46) PGRMEN1KMT2AALDH1A1GLA
SCHEMBL4107682 0.89 PGR (0.46) PGRMEN1KMT2AALDH1A1GLA
SCHEMBL4111142 0.88 PGR (0.45) PGRMEN1KMT2AALDH1A1GLA
SCHEMBL4751253 0.83 PGR (0.40) PGRMEN1KMT2AALDH1A1GLA
SCHEMBL14022483 0.83 PGR (0.41) PGRMEN1KMT2AALDH1A1KDM4E
SCHEMBL4104626 0.82 PGR (0.42) PGRMEN1KMT2AALDH1A1GLA
SCHEMBL14022484 0.81 KDM4E (0.33) PGRMEN1KMT2AALDH1A1KDM4E
SCHEMBL4110642 0.80 PGR (0.41) PGRMEN1KMT2AALDH1A1GLA
SCHEMBL4748730 0.79 PGR (0.38) PGRMEN1KMT2AALDH1A1KDM4E
SCHEMBL4100044 0.78 PGR (0.36) PGRMEN1KMT2AALDH1A1KDM4E

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