SCHEMBL23959009

SCHEMBL23959009

CCC[C@]1(c2ccccc2C)C(=O)Nc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 4/20 0.36
LMNA P02545 2/20 0.36
ALPL P05186 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
TLR9 Q9NR96 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
ACHE P22303 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL23959106 0.82 PIM1 (0.38) PIM1MAPTTP53POLBKMT2A
SCHEMBL23959097 0.80 PIM1 (0.36) PIM1MAPTTP53POLBKMT2A
SCHEMBL23959402 0.80 PIM1 (0.36) PIM1MAPTTP53POLBKMT2A
SCHEMBL2242471 0.68 MEN1 (0.45) PIM1TP53KMT2AMEN1GAA
SCHEMBL31079959 0.68 MEN1 (0.45) PIM1TP53KMT2AMEN1GAA
SCHEMBL2499492 0.68 BRD4 (0.57) PIM1MAPTTP53POLBKMT2A
SCHEMBL23959001 0.68 MDM2 (0.43) TP53ACHE
SCHEMBL31220002 0.67 MEN1 (0.44) PIM1MAPTTP53KMT2AMEN1
SCHEMBL11829 0.67 MEN1 (0.52) PIM1TP53POLBKMT2AMEN1
SCHEMBL31440532 0.67 MEN1 (0.52) PIM1TP53POLBKMT2AMEN1

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-2021212974-A1 RACEMIC AND CHIRAL 3-(2,3-BUTADIENYL)OXYINDOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 复旦大学 (CN) 2021-10-28 WO disclosed