SCHEMBL30522261

SCHEMBL30522261

COC(=O)/C=C/c1c(-c2ccccc2)n(C)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TEK Q02763 1/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HTT P42858 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HK1 P19367 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
HPGD P15428 2/20 0.44
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 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
SCHEMBL1883788 1.00 ALDH1A1 (0.59) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1879533 1.00 ALDH1A1 (0.59) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1879715 0.88 ALDH1A1 (0.58) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1879716 0.88 ALDH1A1 (0.58) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL7803071 0.87 MAPT (0.54) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL6490375 0.86 ALDH1A1 (0.66) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL6490384 0.86 ALDH1A1 (0.66) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1874543 0.86 ALDH1A1 (0.56) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1877131 0.86 ALDH1A1 (0.56) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL1877477 0.86 ALDH1A1 (0.56) ALDH1A1LMNAMAPTNPC1RAB9A

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-116178243-A Preparation method and application of (hetero) aryl fused carbazole compound 西南医科大学 2023-05-30 CN disclosed