SCHEMBL24568170

SCHEMBL24568170

CCC(CC)CC(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.38
TSHR P16473 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
SCHEMBL24567746 0.88 L3MBTL1 (0.47) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL8483449 0.83 L3MBTL1 (0.48) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL22202009 0.82 L3MBTL1 (0.54) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL8483453 0.81 L3MBTL1 (0.47) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL8488421 0.81 L3MBTL1 (0.50) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL10082173 0.81 L3MBTL1 (0.47) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL14300014 0.81 L3MBTL1 (0.47) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL24503889 0.79 MEN1 (0.48) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL22333372 0.79 MEN1 (0.48) L3MBTL1MEN1KMT2ATDP1ATM
SCHEMBL8488426 0.79 MEN1 (0.48) L3MBTL1MEN1KMT2ATDP1ATM

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-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed