SCHEMBL27940928

SCHEMBL27940928

COC(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.73
KDM4E B2RXH2 2/20 0.73
ALDH1A1 P00352 2/20 0.73
LMNA P02545 2/20 0.73
HPGD P15428 2/20 0.73
HSD17B10 Q99714 2/20 0.73
TP53 P04637 1/20 0.73
MAPK1 P28482 1/20 0.73
GABRP O00591 2/20 0.68
GABRD O14764 2/20 0.68
GABRA1 P14867 2/20 0.68
GABRB1 P18505 2/20 0.68
GABRG2 P18507 2/20 0.68
GABRB3 P28472 2/20 0.68
GABRA5 P31644 2/20 0.68
GABRA3 P34903 2/20 0.68
GABRA2 P47869 2/20 0.68
GABRB2 P47870 2/20 0.68
GABRA4 P48169 2/20 0.68
GABRE P78334 2/20 0.68

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
SCHEMBL29817749 1.00 MAPT (0.73) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL29817732 0.92 MAPT (0.76) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL21724929 0.90 MAPT (0.73) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL21724980 0.89 MAPT (0.71) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL29424976 0.89 MAPT (0.71) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL29817702 0.88 MAPT (0.70) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL10857780 0.86 STAT3 (0.69) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL26943206 0.85 STAT3 (0.63) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL29817530 0.84 MAPT (1.00) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL27893270 0.84 MAPT (1.00) MAPTKDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103374056-A 1-Acetyl-beta-carboline-3-formyl amino-acid benzyl ester, and synthesis and application thereof UNIV CAPITAL MEDICAL SCIENCES 2013-10-30 CN claimed
CN-103374056-A 1-Acetyl-beta-carboline-3-formyl amino-acid benzyl ester, and synthesis and application thereof UNIV CAPITAL MEDICAL SCIENCES 2013-10-30 CN disclosed