SCHEMBL7862440

SCHEMBL7862440

CN(C(=O)c1c(O)c2c(C=S)cccc2n(C)c1=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
PGR P06401 1/20 0.64
HDAC4 P56524 1/20 0.53
SRC P12931 1/20 0.47
ALDH1A1 P00352 2/20 0.39
MAP3K5 Q99683 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PABPC1 P11940 1/20 0.36
TP53 P04637 1/20 0.35
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL7558495 0.90 HDAC4 (0.53) KMT2AMEN1PGRHDAC4SRC
SCHEMBL8145505 0.89 HDAC4 (0.59) KMT2AMEN1PGRHDAC4SRC
SCHEMBL7558383 0.88 HDAC4 (0.71) KMT2AMEN1PGRHDAC4SRC
SCHEMBL7860231 0.86 MEN1 (0.47) KMT2AMEN1PGRHDAC4ALDH1A1
SCHEMBL8144306 0.85 HDAC4 (0.58) KMT2AMEN1PGRHDAC4SRC
SCHEMBL17816198 0.85 MEN1 (0.71) KMT2AMEN1PGRHDAC4SRC
SCHEMBL7722435 0.84 MEN1 (0.45) KMT2AMEN1PGRHDAC4ALDH1A1
SCHEMBL5167153 0.84 MEN1 (0.70) KMT2AMEN1PGRHDAC4SRC
SCHEMBL8136643 0.83 MEN1 (0.44) KMT2AMEN1PGRHDAC4ALDH1A1
SCHEMBL8146108 0.83 ALDH1A1 (0.43) KMT2AMEN1PGRHDAC4ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1097139-A1 QUINOLINE DERIVATIVES Active Biotech AB (SE) 2001-05-09 EP disclosed
US-6121287-A Quinoline derivatives ACTIVE BIOTECH AB (SE) 2000-09-19 US disclosed
WO-2000003992-A1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2000-01-27 WO disclosed