SCHEMBL8178690

SCHEMBL8178690

CCOC(=O)CC(NC(=O)c1ccccc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
THRB P10828 2/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CNR2 P34972 2/20 0.43
POLB P06746 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.39
ATM Q13315 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
ADRB2 P07550 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
XPO1 O14980 1/20 0.37

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
SCHEMBL7679948 0.88 HDAC6 (0.42) MAPTTHRBALDH1A1SMN1; SMN2CNR2
SCHEMBL8171121 0.87 ALDH1A1 (0.48) MAPTTHRBALDH1A1SMN1; SMN2CNR2
SCHEMBL8176732 0.87 MAPT (0.46) MAPTTHRBALDH1A1SMN1; SMN2CNR2
SCHEMBL8172706 0.86 MAPT (0.44) MAPTTHRBALDH1A1SMN1; SMN2CNR2
SCHEMBL8172685 0.85 MAPT (0.45) MAPTTHRBALDH1A1SMN1; SMN2CNR2
SCHEMBL8177180 0.84 MAPT (0.44) MAPTTHRBALDH1A1SMN1; SMN2CNR2
SCHEMBL8171546 0.84 MAPT (0.43) MAPTTHRBALDH1A1SMN1; SMN2CNR2
SCHEMBL8176656 0.83 CASP1 (0.44) MAPTTHRBALDH1A1SMN1; SMN2CNR2
SCHEMBL8177175 0.83 MAPT (0.43) MAPTTHRBALDH1A1SMN1; SMN2CNR2
SCHEMBL8179077 0.82 MAPT (0.42) MAPTTHRBALDH1A1SMN1; SMN2CNR2

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
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed