SCHEMBL8200327

SCHEMBL8200327

CCc1cc(C(=O)NCc2ccc3c(c2)OCO3)c(NC(=O)C2CCC(C(=O)O)CC2)s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 4/20 0.48
ALDH1A1 P00352 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
Bicarbonate SCHEMBL7890878 0.92 POLB (0.51) KMT2AMAPTPOLBGAAHIF1A
SCHEMBL8200015 0.92 PKM (0.52) KMT2AMAPTPOLBGAAHIF1A
SCHEMBL7881605 0.90 MAPT (0.52) KMT2AMAPTKDM4ELMNAHPGD
SCHEMBL8206933 0.88 LMNA (0.57) KMT2AMAPTPOLBGAAKDM4E
SCHEMBL8220300 0.88 MAPT (0.48) KMT2AMAPTPOLBKDM4ELMNA
SCHEMBL8212952 0.86 GAA (0.55) KMT2AMAPTPOLBGAAHIF1A
SCHEMBL7420721 0.85 POLB (0.53) KMT2AMAPTPOLBGAAHIF1A
SCHEMBL7888442 0.84 POLB (0.52) KMT2AMAPTPOLBGAAHIF1A
SCHEMBL8200143 0.83 PKM (0.52) KMT2AMAPTPOLBKDM4ELMNA
SCHEMBL7424975 0.83 GAA (0.50) KMT2AMAPTPOLBGAAHIF1A

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
US-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed