SCHEMBL31258302

SCHEMBL31258302

O=C(c1ccccc1)C(Nc1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
CA14 Q9ULX7 1/20 0.47
PTPN1 P18031 4/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HPGDS O60760 1/20 0.46
CES2 O00748 1/20 0.46
LMNA P02545 1/20 0.46
CES1 P23141 1/20 0.46
MDM2 Q00987 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
PTPN11 Q06124 2/20 0.43
CASR P41180 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TAAR1 Q96RJ0 1/20 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
SCHEMBL22215188 0.90 TDP1 (0.53) TDP1L3MBTL1CES2LMNACES1
SCHEMBL31258304 0.85 MAPT (0.51) TDP1L3MBTL1CES2LMNACES1
SCHEMBL6203592 0.85 MDM2 (0.62) TDP1L3MBTL1CES2LMNACES1
SCHEMBL22215228 0.81 ALDH1A1 (0.64) TDP1L3MBTL1CES2CES1MDM2
SCHEMBL28987193 0.81 ALDH1A1 (0.64) TDP1L3MBTL1CES2CES1MDM2
SCHEMBL17664140 0.80 RAB9A (0.56) MMP8MMP14CA14TDP1L3MBTL1
SCHEMBL28987227 0.74 ALDH1A1 (0.56) TDP1L3MBTL1LMNAMDM2NPC1
SCHEMBL28987186 0.74 MAPT (0.56) TDP1L3MBTL1CES2CES1MDM2
SCHEMBL28987224 0.74 ALDH1A1 (0.56) TDP1L3MBTL1LMNAMDM2NPC1
SCHEMBL28987216 0.73 LMNA (0.56) TDP1L3MBTL1LMNAMDM2NPC1

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-119100940-A Green synthesis method for preparing chiral alpha-aminoketone under illumination 中山大学 2024-12-10 CN disclosed