SCHEMBL4052052

SCHEMBL4052052

O=C1C=Cc2cc[nH]c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
PTPRC P08575 4/20 0.41
CES1 P23141 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
BCHE P06276 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
PTPN1 P18031 1/20 0.41
ACHE P22303 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41

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
SCHEMBL31357464 0.65 IDO1 (0.52) IDO1PTPRCCES1KDM4EMEN1
SCHEMBL1650480 0.65 IDO1 (1.00) IDO1PTPRCCES1KDM4EMEN1
SCHEMBL11758095 0.64 PTPRC (0.34) IDO1PTPRCCES1KDM4EMEN1
SCHEMBL24404193 0.60 IDO1 (0.52) IDO1PTPRCCES1KDM4EMEN1
SCHEMBL15762826 0.60 IDO1 (0.52) IDO1PTPRCCES1KDM4EMEN1
SCHEMBL6545149 0.60
1,2-Naphthoquinone SCHEMBL173316 0.59 PTPRC (1.00) IDO1PTPRCCES1KDM4EMEN1
1,2-Naphthoquinone SCHEMBL15167712 0.59 PTPRC (1.00) IDO1PTPRCCES1KDM4EMEN1
SCHEMBL16900338 0.58 PTPRC (0.53) IDO1PTPRCCES1KDM4EMEN1
SCHEMBL2527823 0.58 PTPRC (0.52) IDO1PTPRCCES1KDM4EMEN1

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
CN-119330941-A Antitumor compounds as UPR agonists and uses thereof 南京圣和药业股份有限公司 2025-01-21 CN disclosed
EP-2076518-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-07-08 EP disclosed
WO-2008046046-A1 TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-04-17 WO disclosed