SCHEMBL4813064

SCHEMBL4813064

CCOC(=O)c1nn(CSC)c(C2CC2)c1Oc1ccc(C#N)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
AR P10275 11/20 0.36
CYP11B2 P19099 1/20 0.36
PGR P06401 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDR P35968 1/20 0.35
MAP2K1 Q02750 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL4813032 0.91 MAP2K1 (0.35) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL14021454 0.83 KDM4E (0.39) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL4915592 0.80 ALDH1A1 (0.37) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL4748870 0.75 PGR (0.40) MAPTARCYP11B2PGRCYP2C9
SCHEMBL4752256 0.74 AR (0.39) ARCYP11B2PGRKDRMAP2K1
SCHEMBL4959670 0.73 MRGPRX4 (0.39) ARPGR
SCHEMBL4114557 0.73 AR (0.37) ARPGRSLC22A12
SCHEMBL4978023 0.73 PGR (0.45) ARPGRSLC22A12
SCHEMBL4106340 0.73 PGR (0.47) ARPGRSLC22A12
SCHEMBL4820235 0.71 PGR (0.39) KDM4EMEN1MAPTMAPK1KMT2A

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