SCHEMBL4563209

SCHEMBL4563209

O=C(O)Nc1ccc(-c2csc(N3C(=O)c4ccccc4C3=O)c2C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.42
MEN1 O00255 11/20 0.42
NPC1 O15118 5/20 0.42
SCN2A Q99250 1/20 0.42
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
SLC12A2 P55011 1/20 0.39
SLC12A5 Q9H2X9 1/20 0.39
NLRP3 Q96P20 1/20 0.39
PKM P14618 2/20 0.38
GRIN2C Q14957 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
UBE2I P63279 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1554635 0.87 MEN1 (0.48) KMT2AMEN1NPC1SCN2AALDH1A1
SCHEMBL4259340 0.87 NR1H4 (0.39) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL1554791 0.87 ALDH1A1 (0.46) KMT2AMEN1NPC1SCN2AALDH1A1
SCHEMBL1553399 0.86 KMT2A (0.38) KMT2AMEN1NPC1SCN2AALDH1A1
SCHEMBL4256946 0.86 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1553831 0.84 MEN1 (0.46) KMT2AMEN1NPC1SCN2AALDH1A1
SCHEMBL1553923 0.84 AR (0.49) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL1553601 0.83 ALDH1A1 (0.42) KMT2AMEN1NPC1ALDH1A1SMN1; SMN2
SCHEMBL3972241 0.82 MEN1 (0.46) KMT2AMEN1NPC1SCN2AALDH1A1
SCHEMBL1553944 0.81 POLB (0.44) KMT2AMEN1NPC1SCN2AALDH1A1

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-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 WO disclosed