SCHEMBL8206447

SCHEMBL8206447

COC(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)NCCc2ccccc2)CCCC3)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.64
ATM Q13315 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MGAM O43451 3/20 0.64
AMY1A P0DUB6 2/20 0.64
TP53 P04637 4/20 0.61
TAAR1 Q96RJ0 2/20 0.60
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
GLO1 Q04760 1/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
FLT3 P36888 1/20 0.55
KIF11 P52732 1/20 0.55
CNR2 P34972 1/20 0.55
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL8211459 0.90 MGAM (0.77) KMT2AMEN1ATML3MBTL1MGAM
SCHEMBL7887075 0.90 KMT2A (0.70) KMT2AMEN1ATML3MBTL1MGAM
SCHEMBL13561194 0.86 KMT2A (0.74) KMT2AMEN1ATML3MBTL1MGAM
SCHEMBL8213046 0.82 MGAM (0.73) KMT2AMEN1L3MBTL1MGAMAMY1A
SCHEMBL8248232 0.81 CNR2 (0.65) KMT2AMEN1ATML3MBTL1TP53
SCHEMBL8290383 0.80 KMT2A (0.87) KMT2AMEN1ATML3MBTL1MGAM
SCHEMBL7888385 0.80 MGAM (0.73) KMT2AMEN1ATML3MBTL1MGAM
SCHEMBL17183511 0.80 KMT2A (0.72) KMT2AMEN1ATML3MBTL1MGAM
SCHEMBL8288791 0.79 KMT2A (1.00) KMT2AMEN1ATML3MBTL1MGAM
SCHEMBL8212882 0.79 MGAM (0.64) KMT2AMEN1MGAMAMY1ATP53

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