SCHEMBL29210200

SCHEMBL29210200

[N-]=[N+]=NC/C=C(\CBr)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.36
GSK3B P49841 1/20 0.36
PTGS2 P35354 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC3 O15379 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL29210203 1.00 PTPN1 (0.36) PTPN1GSK3BPTGS2HDAC1HDAC2
SCHEMBL29210161 0.91 PTPN1 (0.42) PTPN1GSK3BHDAC1HDAC2CYP1A2
SCHEMBL29210167 0.91 PTPN1 (0.42) PTPN1GSK3BHDAC1HDAC2CYP1A2
SCHEMBL29210182 0.86 TSHR (0.36) GSK3B
SCHEMBL29210185 0.86 TSHR (0.36) GSK3B
SCHEMBL29210232 0.85 HDAC1 (0.43) PTGS2HDAC1HDAC2HDAC3NCOR2
SCHEMBL29210148 0.84 PTPN1 (0.40) PTPN1
SCHEMBL29210155 0.84
SCHEMBL29210151 0.84 PTPN1 (0.40) PTPN1
SCHEMBL29210173 0.84 GSK3B (0.40) GSK3B

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-116396141-B Preparation method of bromine chloride or bromine azide 中国科学技术大学 2025-05-30 CN disclosed
CN-116396141-A Preparation method of bromine chloride or bromine azide 中国科学技术大学 2023-07-07 CN disclosed