SCHEMBL8207966

SCHEMBL8207966

COC(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccc(OC)c(OC)c2)CCCC3)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.74
LMNA P02545 3/20 0.74
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
POLB P06746 1/20 0.67
MGAM O43451 6/20 0.67
AMY1A P0DUB6 3/20 0.67
FLT3 P36888 4/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
RECQL P46063 1/20 0.65
TP53 P04637 2/20 0.64
GAA P10253 1/20 0.58
GLO1 Q04760 1/20 0.55

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
SCHEMBL7420010 0.93 KDM4E (0.67) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL8199918 0.92 MGAM (0.64) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL8211459 0.87 MGAM (0.77) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL8213046 0.86 MGAM (0.73) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL8207640 0.85 KDM4E (0.65) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL7425023 0.85 KDM4E (0.60) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL8212882 0.83 MGAM (0.64) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL8207571 0.82 CNR2 (0.58) MAPTLMNAKDM4EALDH1A1HPGD
SCHEMBL8210444 0.81 KMT2A (0.61) MAPTLMNAKDM4EALDH1A1HPGD
Bicarbonate SCHEMBL7430289 0.81 CNR2 (0.62) MAPTLMNAKDM4EALDH1A1HPGD

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