SCHEMBL30285019

SCHEMBL30285019

COC(=O)c1ccccc1-c1cc(C)cc(NC(=O)CCc2ccccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ ADRA2B P18089 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPT P10636 1/20 0.44
▸ BDKRB1 P46663 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL19512887 0.83 KDM4E (0.49) KMT2AKDM4EMAPTBDKRB1ALDH1A1
SCHEMBL28997458 0.82 HPGD (0.48) KMT2AADRA2BKDM4EMAPTALDH1A1
SCHEMBL28998286 0.77 GRM5 (0.48) KDM4EBDKRB1ALDH1A1ALOX15HSD17B10
SCHEMBL30284999 0.77 GRM5 (0.48) KDM4EBDKRB1ALDH1A1ALOX15HSD17B10
SCHEMBL19512884 0.76 KDM4E (0.43) KMT2AKDM4EBDKRB1ALDH1A1ALOX15
SCHEMBL20936928 0.75 KDM4E (0.42) KMT2AKDM4EBDKRB1ALDH1A1ALOX15
SCHEMBL20936941 0.74 LMNA (0.42) KMT2AKDM4EBDKRB1ALDH1A1ALOX15
SCHEMBL19512883 0.74 TSPO (0.43) KDM4EBDKRB1ALDH1A1ALOX15HSD17B10
SCHEMBL17992351 0.74 KDM4E (0.49) KDM4EBDKRB1ALDH1A1ALOX15HSD17B10
SCHEMBL30285223 0.72 POLB (0.40) KDM4EBDKRB1ALDH1A1ALOX15HSD17B10

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
CN-109311813-B Palladium-catalyzed meta-C-H functionalized universal ligands 斯克利普斯研究院 2023-02-28 — — CN disclosed
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