SCHEMBL22965271

SCHEMBL22965271

COc1ccc2c(c1)nc(C)n2CCCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
TP53 P04637 2/20 0.53
DYRK1A Q13627 1/20 0.53
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
KMO O15229 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
DCTPP1 Q9H773 1/20 0.44

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
SCHEMBL26067835 0.87 TDP1 (0.61) TDP1MAPTLMNATP53DYRK1A
SCHEMBL29328857 0.83 TDP1 (0.74) TDP1MAPTLMNATP53DYRK1A
SCHEMBL22965270 0.82 TBXA2R (0.50) MAPTKDM4EALDH1A1
SCHEMBL28516010 0.79 LMNA (0.62) LMNATP53KDM4EHTTALDH1A1
SCHEMBL22965215 0.75 LMNA (0.60) LMNATP53KDM4EHTTALDH1A1
SCHEMBL8565849 0.74 PTAFR (0.47)
SCHEMBL29703899 0.74 HDAC6 (0.63) MAPTLMNATP53KDM4EHSD17B10
SCHEMBL30712052 0.74 MTNR1A (0.60) TDP1MAPTDYRK1AHTTALDH1A1
SCHEMBL17934180 0.74 DYRK1A (0.49) TDP1MAPTDYRK1AHTTALDH1A1
SCHEMBL27038771 0.74 MTNR1A (0.60) TDP1MAPTDYRK1AHTTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234609-B1 METHODS FOR PURIFICATION, DETECTION AND QUANTIFICATION OF RESIDUAL PEI-BASED TRANSFECTION REAGENTS POLYPLUS TRANSFECTION (FR) 2024-07-17 EP disclosed
WO-2023161409-A1 METHODS FOR PURIFICATION, DETECTION AND QUANTIFICATION OF RESIDUAL PEI-BASED TRANSFECTION REAGENTS POLYPLUS TRANSFECTION (FR) 2023-08-31 WO disclosed
EP-4234609-A1 METHODS FOR PURIFICATION, DETECTION AND QUANTIFICATION OF RESIDUAL PEI-BASED TRANSFECTION REAGENTS PolyPlus Transfection (FR) 2023-08-30 EP disclosed
WO-2021023796-A1 COMPOSITIONS FOR TRANSFECTING A NUCLEIC ACID MOLECULE INTO A CELL COMPRISING HETEROCYCLIC COMPOUNDS GRAFTED TO A CATIONIC POLYMER, AND THEIR APPLICATIONS POLYPLUS TRANSFECTION (FR) 2021-02-11 WO disclosed