SCHEMBL29138552

SCHEMBL29138552

CCOC(=O)CCc1cscn1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP4Z1 Q86W10 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
SCHEMBL27811696 0.85 DGKA (0.44) L3MBTL1MAPK1MAPTMEN1KMT2A
SCHEMBL216664 0.83 MEN1 (0.51) MAPK1NPSR1MAPTMEN1KMT2A
SCHEMBL27831859 0.81 TDP1 (0.37) MAPK1NPSR1KDM4E
SCHEMBL30861870 0.80 DPP4 (0.34) MAPK1NPSR1KDM4E
SCHEMBL7395423 0.79 CTSK (0.36) L3MBTL1MAPK1NPSR1KMT2AGAA
Ammonia Solution, Strong SCHEMBL28769647 0.78 MAPK1 (0.35) MAPK1NPSR1LMNAGAASMN1; SMN2
SCHEMBL27873459 0.78 MAPK1 (0.36) MAPK1NPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL27763463 0.77 MAPK1 (0.38) MAPK1NPSR1LMNAGAASMN1; SMN2
SCHEMBL907879 0.75 KDM4E (0.44) L3MBTL1MAPK1NPSR1LMNAKDM4E
SCHEMBL7279894 0.74 SMN1; SMN2 (0.40) MAPK1NPSR1MEN1KMT2ALMNA

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-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN disclosed