SCHEMBL4748729

SCHEMBL4748729

CCn1nc(C2CC2)c(Oc2cc(C)c(C#N)c(C)c2)c1CO

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL4752257 0.88 PDE10A (0.34) KDM4ELMNAMEN1ALDH1A1KMT2A
SCHEMBL4752250 0.88 BRD2 (0.33) KDM4ELMNAALDH1A1
SCHEMBL4748819 0.87 PGR (0.37) KDM4ELMNAMEN1ALDH1A1KMT2A
SCHEMBL4751253 0.85 PGR (0.40) KDM4ELMNAMEN1ALDH1A1KMT2A
SCHEMBL4751693 0.83 DHODH (0.39) KDM4ELMNAMEN1ALDH1A1KMT2A
SCHEMBL4904300 0.83 PGR (0.34) KDM4ELMNAMEN1ALDH1A1KMT2A
SCHEMBL4097765 0.81 KDM4E (0.35) KDM4ELMNAMEN1ALDH1A1KMT2A
SCHEMBL4110176 0.80 KDM4E (0.34) KDM4ELMNAMEN1ALDH1A1KMT2A
SCHEMBL4854390 0.80
SCHEMBL13889226 0.77 KDM4E (0.39) KDM4ELMNAMEN1ALDH1A1KMT2A

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