SCHEMBL29597014

SCHEMBL29597014

N#Cc1cc2ccc(Br)cc2cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.50
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NSD2 O96028 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHEK1 O14757 1/20 0.41
GPR35 Q9HC97 2/20 0.41

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
SCHEMBL7590901 1.00 CYP2A6 (0.50) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL26623457 0.86 CYP2A6 (0.42) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL28628169 0.86 CYP2A6 (0.42) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL8404526 0.86 CYP2A6 (0.42) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL28628069 0.86 CYP2A6 (0.42) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL22155637 0.84 MAOB (0.44) KDM4EMAPTALDH1A1MAOBMAOA
SCHEMBL1395661 0.78 MAOB (0.61) KDM4EALDH1A1MAOBMAOACHEK1
SCHEMBL30475151 0.78 MAOB (0.61) KDM4EALDH1A1MAOBMAOACHEK1
SCHEMBL744467 0.77 CYP2A6 (0.50) CYP2A6KDM4EMAPTMEN1ALDH1A1
SCHEMBL23312077 0.77 CYP2A6 (0.68) CYP2A6KDM4EMAPTMEN1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114512719-B Eutectic solvent-based electrolyte and application thereof 中国科学院青岛生物能源与过程研究所 2024-12-03 CN claimed
CN-114512719-A Eutectic solvent-based electrolyte and application thereof 中国科学院青岛生物能源与过程研究所 2022-05-17 CN claimed
CN-120077108-A Compounds of formula (I) 住友化学株式会社 2025-05-30 CN disclosed
CN-120035640-A Coloring agent 住友化学株式会社 2025-05-23 CN disclosed
CN-114512719-B Eutectic solvent-based electrolyte and application thereof 中国科学院青岛生物能源与过程研究所 2024-12-03 CN disclosed
CN-114512719-A Eutectic solvent-based electrolyte and application thereof 中国科学院青岛生物能源与过程研究所 2022-05-17 CN disclosed