SCHEMBL24848610

SCHEMBL24848610

O=C(OI)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 14/20 0.53
L3MBTL1 Q9Y468 12/20 0.53
MBTD1 Q05BQ5 5/20 0.53
TP53BP1 Q12888 2/20 0.50
L3MBTL4 Q8NA19 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL1703120 0.81 L3MBTL3 (0.53) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL25074931 0.81 L3MBTL3 (0.53) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL25894058 0.81 L3MBTL3 (0.49) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL25893427 0.81 CYP1A2 (0.49) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL25905001 0.81 MAPK1 (0.53) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL25904977 0.81 L3MBTL3 (0.49) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL8267546 0.80 L3MBTL3 (0.51) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL13015354 0.80 ALDH1A1 (0.50) MEN1KMT2AALDH1A1
SCHEMBL20762032 0.79 L3MBTL3 (0.51) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL12967015 0.79 MAPK1 (0.70) L3MBTL1MAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134465-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-07-20 WO disclosed
WO-2023274246-A1 AMIDE COMPOUND AND USE THEREOF 成都分迪药业有限公司 2023-01-05 WO disclosed