SCHEMBL21186002

SCHEMBL21186002

Cc1cccc2sc(NC(=O)c3ncccc3O)nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.64
MEN1 O00255 8/20 0.64
LMNA P02545 4/20 0.64
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 3/20 0.61
HPGD P15428 2/20 0.61
MAPT P10636 6/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
POLB P06746 2/20 0.58
ALOX15 P16050 2/20 0.58
USP2 O75604 1/20 0.58
MCL1 Q07820 1/20 0.58
ESR2 Q92731 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
DYRK1A Q13627 1/20 0.54
MAPK1 P28482 1/20 0.52
ACHE P22303 1/20 0.50
P2RX7 Q99572 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL21186147 0.87 NPC1 (0.55) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL21186199 0.86 NPC1 (0.59) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL21186198 0.82 NPC1 (0.49) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL26884128 0.81 KMT2A (0.65) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL23607120 0.80 TOP1 (0.61) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL3046997 0.80 MEN1 (0.72) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL21821838 0.78 MAPT (0.76) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL5713545 0.77 MAPT (0.67) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL2753869 0.77 KMT2A (0.70) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL13723979 0.76 MAPT (0.74) KMT2AMEN1LMNAKDM4EALDH1A1

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
WO-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed