SCHEMBL29127250

SCHEMBL29127250

O=C=Nc1ccccc1C=Cc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CYP3A4 P08684 1/20 0.41
CHAT P28329 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GSR P00390 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
RELA Q04206 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3099538 0.89 CYP3A4 (0.50) CYP3A4NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL31168163 0.89 CYP3A4 (0.50) CYP3A4NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL5551100 0.89 CYP3A4 (0.50) CYP3A4NFE2L2ALDH1A1MEN1KMT2A
SCHEMBL29127256 0.85 TDP1 (0.43) CYP1A2ALDH1A1MAPTKDM4EMEN1
SCHEMBL29127239 0.81 NFE2L2 (0.51) CYP3A4CHATCYP1A2CYP1A1CYP1B1
SCHEMBL11022950 0.80 NFE2L2 (0.46) CYP3A4HDAC1HDAC8HDAC6CYP1A2
SCHEMBL11022955 0.80 NFE2L2 (0.46) CYP3A4HDAC1HDAC8HDAC6CYP1A2
SCHEMBL29127235 0.79 CYP3A4 (0.50) APOBEC3AAPOBEC3GCYP3A4CYP1A2ALDH1A1
SCHEMBL29537333 0.78 CYP3A4 (0.52) CYP3A4ALDH1A1MAPTMEN1KMT2A
SCHEMBL93270 0.78 CYP3A4 (0.52) CYP3A4ALDH1A1MAPTMEN1KMT2A

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-117143007-A Tetrahydrocarbazole derivative and photocatalytic synthesis method thereof 陕西科技大学 2023-12-01 CN disclosed