SCHEMBL8489290

SCHEMBL8489290

C#CCN(Cc1cc2c(=O)n(COC(=O)C(C)(C)C)c(C)nc2cc1Br)OC(=O)c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
NAMPT P43490 8/20 0.35
TYMS P04818 3/20 0.33
LMNA P02545 1/20 0.33
APP P05067 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8488436 0.91 NAMPT (0.40) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL8485123 0.89 KMT2A (0.38) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL8488363 0.86 NAMPT (0.38) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL8488939 0.83 NAMPT (0.35) KMT2AKDM4EALDH1A1NAMPTAPP
SCHEMBL8489294 0.82 NAMPT (0.36) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL8489292 0.82 ALDH1A1 (0.39) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL8485019 0.81 NAMPT (0.42) KMT2AKDM4EALDH1A1NAMPTAPP
SCHEMBL8485126 0.79 KMT2A (0.42) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL9299316 0.78 TYMS (0.43) NAMPTTYMS
SCHEMBL8486426 0.78 NAMPT (0.41) KMT2AMEN1KDM4EALDH1A1NAMPT

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
US-5955463-A ANTITUMOR, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 1999-09-21 US disclosed