SCHEMBL8200015

SCHEMBL8200015

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
HPGD P15428 5/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
HIF1A Q16665 1/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.47
REV1 Q9UBZ9 1/20 0.46
MEN1 O00255 2/20 0.46
HSD17B10 Q99714 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
SCHEMBL8200327 0.92 KMT2A (0.52) PKMHPGDPOLBMAPTGAA
SCHEMBL8200143 0.91 PKM (0.52) PKMHPGDPOLBMAPTKMT2A
SCHEMBL8211919 0.90 KDM4E (0.54) PKMHPGDPOLBMAPTGAA
Bicarbonate SCHEMBL7890878 0.89 POLB (0.51) PKMHPGDPOLBMAPTGAA
SCHEMBL8206662 0.85 GAA (0.53) PKMPOLBMAPTGAAHIF1A
SCHEMBL8212994 0.85 POLB (0.54) POLBMAPTGAAHIF1AKMT2A
SCHEMBL8212725 0.85 GAA (0.56) PKMHPGDPOLBMAPTGAA
SCHEMBL8199034 0.83 GAA (0.50) PKMHPGDPOLBMAPTGAA
SCHEMBL8200394 0.82 HPGD (0.55) PKMHPGDPOLBMAPTKMT2A
SCHEMBL7881605 0.82 MAPT (0.52) PKMHPGDMAPTKMT2ASMN1; SMN2

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