SCHEMBL28867944

SCHEMBL28867944

CN(C(=O)c1ccccc1)c1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD11B1 P28845 1/20 0.43
RAB9A P51151 3/20 0.43
NR1H3 Q13133 2/20 0.43
NPC1 O15118 2/20 0.43
NR1H2 P55055 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HPGD P15428 3/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
EGFR P00533 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
SCHEMBL9001643 0.86 KMT2A (0.53) KMT2AKDM4EHSD11B1RAB9ANR1H3
SCHEMBL31270491 0.85 NR1H3 (0.41) KMT2AKDM4EHSD11B1RAB9ANR1H3
SCHEMBL27855990 0.85 KMT2A (0.41) KMT2AKDM4EHSD11B1RAB9ANR1H3
SCHEMBL6219691 0.82 HPGD (0.46) KDM4ERAB9ANPC1TP53SMN1; SMN2
SCHEMBL8812454 0.81 KMT2A (0.49) KMT2AKDM4EHSD11B1RAB9ANR1H3
SCHEMBL12550519 0.80 ALDH1A1 (0.47) KMT2AHSD11B1RAB9ANPC1TP53
SCHEMBL28995162 0.80 EGFR (0.39) KMT2ARAB9ANPC1LMNASMN1; SMN2
SCHEMBL3807892 0.79 ALDH1A1 (0.51) KMT2AKDM4EALDH1A1
SCHEMBL9062523 0.79 TSPO (0.51) HSD11B1LMNATP53SMN1; SMN2HPGD
SCHEMBL10878726 0.78 KDM4E (0.46) KMT2AKDM4EHSD11B1RAB9ANR1H3

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
CN-115057794-B Method for removing methylation of cerium catalytic oxidation amide by visible light induction 桂林理工大学 2023-11-17 CN disclosed
CN-115057794-A Novel method for removing methylation of cerium-induced catalytic oxidation amide by visible light 桂林理工大学 2022-09-16 CN disclosed