SCHEMBL5236265

SCHEMBL5236265

Cc1csc2c1c(O)c(C(=O)N(C)c1ccccc1)c(=O)n2C.[LiH]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
PGR P06401 1/20 0.56
SRC P12931 1/20 0.43
HDAC4 P56524 1/20 0.42
ERCC5 P28715 2/20 0.40
FEN1 P39748 2/20 0.40
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
GNRHR P30968 1/20 0.35
ADORA2B P29275 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
TACR1 P25103 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4509473 0.99 KMT2A (0.57) KMT2AMEN1PGRSRCHDAC4
SCHEMBL4506552 0.98 KMT2A (0.56) KMT2AMEN1PGRSRCHDAC4
SCHEMBL4510344 0.98 KMT2A (0.56) KMT2AMEN1PGRSRCHDAC4
SCHEMBL4496687 0.98 KMT2A (0.56) KMT2AMEN1PGRSRCHDAC4
SCHEMBL4507747 0.98 KMT2A (0.56) KMT2AMEN1PGRSRCHDAC4
Diethanolamine SCHEMBL4559283 0.90 MEN1 (0.48) KMT2AMEN1PGRSRCHDAC4
SCHEMBL4494251 0.90 MEN1 (0.48) KMT2AMEN1PGRSRCHDAC4
SCHEMBL4511684 0.88 MEN1 (0.44) KMT2AMEN1PGRHDAC4ERCC5
SCHEMBL4506954 0.87 MEN1 (0.44) KMT2AMEN1PGRSRCHDAC4
SCHEMBL4494482 0.86 MEN1 (0.42) KMT2AMEN1PGRSRCHDAC4

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
EP-1776369-B1 THIENOPYRIDONE CARBOXAMIDES AND THEIR MEDICAL USE ACTIVE BIOTECH AB (SE) 2007-10-10 EP disclosed