SCHEMBL8489292

SCHEMBL8489292

C#CCNCc1cc2c(=O)n(COC(=O)C(C)(C)C)c(C)nc2cc1Br.O=C(O)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.38
NAMPT P43490 1/20 0.35
HDAC1 Q13547 4/20 0.34
HDAC11 Q96DB2 4/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC6 Q9UBN7 4/20 0.34
HDAC2 Q92769 3/20 0.34
APP P05067 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL8488438 0.91 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL8485126 0.90 KMT2A (0.42) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL8489290 0.82 KMT2A (0.36) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL8485123 0.80 KMT2A (0.38) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL8489294 0.80 NAMPT (0.36) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL8488360 0.77 NAMPT (0.40) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL8485127 0.77 EIF4EBP1 (0.34) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL7427899 0.75 POLB (0.41) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL8488436 0.74 NAMPT (0.40) ALDH1A1KMT2AKDM4EMEN1POLB
SCHEMBL9299312 0.74 TYMS (0.46) NAMPT

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