SCHEMBL23055588

SCHEMBL23055588

CC(C)(C)OC(=O)Cn1ncc2ccc(Br)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 7/20 0.55
IRAK4 Q9NWZ3 2/20 0.42
FGFR1 P11362 2/20 0.41
FGFR4 P22455 2/20 0.41
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.38
PLA2G4A P47712 1/20 0.37
FPR2 P25090 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR4 Q13639 1/20 0.36

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
SCHEMBL30188516 0.90 KMO (0.43) KMOKDM4EALDH1A1EGFRPLA2G4A
SCHEMBL23631639 0.85 KMO (0.59) KMOIRAK4FGFR1FGFR4BRD4
SCHEMBL24782853 0.85 KMO (0.45) KMOBRD4KDM4EALDH1A1PLA2G4A
SCHEMBL7256650 0.83 KMO (0.56) KMOIRAK4FGFR1FGFR4BRD4
SCHEMBL5281382 0.81 KDM4E (0.52) KMOKDM4EALDH1A1
SCHEMBL31103887 0.80 ALDH1A1 (0.36) KMOFGFR1FGFR4BRD4KDM4E
SCHEMBL23631662 0.79 KMO (0.74) KMOIRAK4FGFR1FGFR4EGFR
SCHEMBL23631582 0.79 KMO (0.52) KMOIRAK4FGFR1FGFR4BRD4
SCHEMBL28803196 0.78 SYK (0.44) KMOKDM4EALDH1A1PLA2G4AHTR1A
SCHEMBL9796 0.77 KMO (0.46) KMOIRAK4FGFR1FGFR4EGFR

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-2021141041-A1 THERAPEUTIC AGENT FOR TAUOPATHIES 大日本住友製薬株式会社 2021-07-15 WO disclosed
WO-2021039961-A1 RING-FUSED PYRAZOLE DERIVATIVE 大日本住友製薬株式会社 2021-03-04 WO disclosed