SCHEMBL25688641

SCHEMBL25688641

COC(=O)CNC(=O)CN(C1CCNCC1)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
HTT P42858 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
RECQL P46063 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL25688632 0.78 RECQL (0.39) ALDH1A1SMN1; SMN2KDM4ERECQLTSHR
SCHEMBL25687805 0.70 RECQL (0.44) MAPK1ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL16367135 0.69 KMT2A (0.41) KMT2AMEN1HTTAPOBEC3AAPOBEC3G
SCHEMBL295502 0.68 SLC6A2 (0.49) KMT2AMEN1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL1088404 0.68 SLC6A2 (0.44) KMT2AMEN1MAPK1SMN1; SMN2SLC6A2
SCHEMBL8484000 0.67 ALDH1A1 (0.35) KMT2AMEN1HTTALDH1A1SMN1; SMN2
SCHEMBL18494973 0.67 EPHX1 (0.34) HTTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL13770854 0.67 SLC6A2 (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2SLC6A2
Hydrochloric Acid SCHEMBL8483997 0.66 L3MBTL1 (0.36) KMT2AMEN1HTTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8838006 0.66 GNAI3 (0.54) HTTALDH1A1SMN1; SMN2KDM4EGAA

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-2023114379-A1 PLPRO INHIBITORS HUAHAI US INC. (US) 2023-06-22 WO disclosed