SCHEMBL30464076

SCHEMBL30464076

O=[N+]([O-])c1ccnc2nccc(Br)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 7/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
KDM4E B2RXH2 5/20 0.36
MAPT P10636 5/20 0.36
TDP1 Q9NUW8 4/20 0.36
CTSB P07858 2/20 0.36
IDO1 P14902 2/20 0.36
TDO2 P48775 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 2/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.34
EGFR P00533 1/20 0.34
PAX8 Q06710 1/20 0.33
TXNRD1 Q16881 1/20 0.33

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
SCHEMBL29008531 1.00 BCHE (0.36) BCHEACHECES1PDE10AALDH1A1
SCHEMBL25298351 0.75 ALDH1A1 (0.55) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL20444684 0.75 PRKCI (0.38) MEN1KMT2AKDM4ETDP1HTT
SCHEMBL2882516 0.73 AXL (0.41) ALDH1A1MAPTRAB9AEGFRCYP19A1
SCHEMBL4582883 0.73 MET (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL25291696 0.72 KMT2A (0.49) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6174042 0.71 PDE10A (0.39) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL8111508 0.69 CYP1A2 (0.49) PDE10AALDH1A1MEN1KMT2AKDM4E
SCHEMBL10725644 0.68 CSNK2A1 (0.41) BCHEACHECES1ALDH1A1MEN1
SCHEMBL30940276 0.68 POLB (0.61) PDE10AALDH1A1MEN1KMT2AKDM4E

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-111333619-B 488nm excited high-stability super-resolution fluorescent dye and synthesis and application thereof 中国科学院大连化学物理研究所 2023-06-20 CN disclosed
CN-111362899-B Preparation method of 4-bromo-5-nitro-1, 8-naphthalene anhydride 长江大学 2023-05-30 CN disclosed