SCHEMBL31258304

SCHEMBL31258304

Cc1ccc(NC(C(=O)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PTGS2 P35354 1/20 0.49
LMNA P02545 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
MDM2 Q00987 1/20 0.44
CASR P41180 1/20 0.44
HPGD P15428 1/20 0.44
HPN P05981 2/20 0.43

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 0.88 TDP1 (0.53) MAPTNPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL28987224 0.87 ALDH1A1 (0.56) MAPTNPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL28987227 0.87 ALDH1A1 (0.56) MAPTNPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL31258302 0.85 MMP8 (0.47) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL2482091 0.85 SMN1; SMN2 (0.53) MAPTNPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL6203592 0.84 MDM2 (0.62) MAPTNPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL22215228 0.83 ALDH1A1 (0.64) MAPTNPC1RAB9APTGS2ALDH1A1
SCHEMBL28987193 0.83 ALDH1A1 (0.64) MAPTNPC1RAB9APTGS2ALDH1A1
SCHEMBL28987235 0.79 ALDH1A1 (0.58) MAPTNPC1RAB9ASMN1; SMN2PTGS2
SCHEMBL28987232 0.79 ALDH1A1 (0.58) MAPTNPC1RAB9ASMN1; SMN2PTGS2

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