SCHEMBL4748841

SCHEMBL4748841

CCOC(=O)c1c(Oc2cc(C)c(C#N)c(C)c2)c(C2CC2)nn1CSC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 5/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 3/20 0.36
DHODH Q02127 3/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.33
BTK Q06187 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL14022462 0.96 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4751693 0.91 DHODH (0.39) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4751035 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4752262 0.87 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL14021476 0.84 KDM4E (0.36) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL14021454 0.83 KDM4E (0.39) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL13889226 0.80 KDM4E (0.39) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4915592 0.80 ALDH1A1 (0.37) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL4748844 0.76 PGR (0.38) KDM4EMAPTDHODHHSD17B10GPR119
SCHEMBL4751578 0.75 KDM4E (0.37) ALDH1A1KDM4EMEN1LMNAKMT2A

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