SCHEMBL4752262

SCHEMBL4752262

CCOC(=O)c1c(Oc2cc(C)c(C#N)c(C)c2)c(C2CC2)nn1CCOC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 5/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BRAF P15056 1/20 0.36
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 4/20 0.34
TRPV4 Q9HBA0 1/20 0.33
DHODH Q02127 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD2 P25440 2/20 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
SCHEMBL4751693 0.90 DHODH (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4751035 0.88 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4748841 0.87 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL14022462 0.84 ALDH1A1 (0.37) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL14021476 0.83 KDM4E (0.36) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4752250 0.82 BRD2 (0.33) ALDH1A1KDM4ELMNAHSD17B10HPGD
SCHEMBL13889226 0.78 KDM4E (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4751032 0.75 KDM4E (0.39) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL4748844 0.75 PGR (0.38) KDM4EHSD17B10MAPTDHODHGPR119
SCHEMBL4097765 0.74 KDM4E (0.35) ALDH1A1KDM4ELMNAMEN1KMT2A

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