SCHEMBL22965254

SCHEMBL22965254

CN(Cc1nc2ccccc2n1CCCCC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 1/20 0.48
HDAC6 Q9UBN7 1/20 0.47
RECQL P46063 1/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PIN1 Q13526 3/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
APEX1 P27695 1/20 0.42

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
SCHEMBL22965191 0.88 PTGDR2 (0.47) LMNAKDM4ERECQLTP53MAPT
SCHEMBL22965156 0.83 TBXA2R (0.46) KMT2AHDAC6RECQLL3MBTL1
SCHEMBL7522351 0.81 ALDH1A1 (0.58) LMNAHDAC6RECQLTP53MAPT
SCHEMBL23779995 0.81 KDM4E (0.60) LMNAKDM4EKMT2AHDAC6RECQL
SCHEMBL540895 0.75 TP53 (0.65) LMNAKDM4ERECQLTP53MAPT
SCHEMBL540973 0.74 TP53 (0.59) LMNARECQLTP53MAPTSMN1; SMN2
SCHEMBL22965267 0.72 FAAH (0.40) RECQLSMN1; SMN2ALDH1A1
SCHEMBL22965215 0.72 LMNA (0.60) LMNAKDM4EKMT2AHDAC6TP53
SCHEMBL540852 0.71 LMNA (0.59) LMNAKDM4EKMT2AHDAC6TP53
SCHEMBL6809443 0.71 RAB9A (0.50) LMNAHDAC6TP53SMN1; SMN2POLB

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-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