SCHEMBL29634639

SCHEMBL29634639

CCCS(=O)(=O)OC1CCN(Nc2c(N)cnc3c2ccn3S(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
ACVR1 Q04771 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTR6 P50406 4/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.30
DRD2 P14416 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HRH1 P35367 1/20 0.30
ADRA1B P35368 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL29634651 0.94 L3MBTL1 (0.35) L3MBTL1ACVR1CYP2D6HTR6ALDH1A1
SCHEMBL30051724 0.85 L3MBTL1 (0.36) L3MBTL1ACVR1CYP2D6HTR6ALDH1A1
SCHEMBL28830396 0.85 L3MBTL1 (0.36) L3MBTL1ACVR1CYP2D6HTR6ALDH1A1
SCHEMBL28830386 0.84 L3MBTL1 (0.38) L3MBTL1CYP2D6HTR6ALDH1A1CYP3A4
SCHEMBL30053626 0.84 L3MBTL1 (0.38) L3MBTL1CYP2D6HTR6ALDH1A1CYP3A4
SCHEMBL23119942 0.83 L3MBTL1 (0.39) L3MBTL1CYP2D6HTR6ALDH1A1CYP3A4
SCHEMBL29634559 0.83 LMNA (0.35) L3MBTL1ACVR1CYP2D6HTR6ALDH1A1
SCHEMBL23119940 0.82 L3MBTL1 (0.36) L3MBTL1CYP2D6HTR6ALDH1A1CYP3A4
SCHEMBL28830509 0.82 L3MBTL1 (0.35) L3MBTL1ACVR1CYP2D6HTR6ALDH1A1
SCHEMBL28830431 0.82 L3MBTL1 (0.35) L3MBTL1ACVR1CYP2D6HTR6ALDH1A1

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
CN-110483514-B Cyano-substituted cyclic hydrazine derivative and application thereof 启元生物(杭州)有限公司 2022-06-14 CN disclosed