SCHEMBL31295166

SCHEMBL31295166

Cc1nc(C)n(CCCO)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 2/20 0.35
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
CSNK2A3 Q8NEV1 2/20 0.34
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MPO P05164 2/20 0.32
POLB P06746 1/20 0.30
RAB9A P51151 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
SCHEMBL21889149 0.87 KMT2A (0.41) KMT2AMEN1TSHRMAPTL3MBTL1
SCHEMBL33266 0.76 ADORA2A (0.39) KMT2AMEN1TSHRMAPTL3MBTL1
SCHEMBL20691037 0.74 ALDH1A1 (0.42) KMT2AMEN1CSNK2A2CSNK2BCSNK2A1
SCHEMBL18157872 0.72 L3MBTL1 (0.35) KMT2AMEN1MAPTL3MBTL1LMNA
SCHEMBL20691038 0.71 MEN1 (0.46) KMT2AMEN1L3MBTL1
SCHEMBL22212156 0.69 MEN1 (0.44) KMT2AMEN1
SCHEMBL15332973 0.69 MEN1 (0.38) KMT2AMEN1MAPTL3MBTL1LMNA
SCHEMBL20747211 0.69 MEN1 (0.44) KMT2AMEN1
SCHEMBL20690994 0.68 L3MBTL1 (0.35) KMT2AMEN1MAPTL3MBTL1LMNA
SCHEMBL13995803 0.67 L3MBTL1 (0.41) KMT2AMEN1TSHRMAPTL3MBTL1

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
CN-119698412-A 5-HT2A receptor agonist, and preparation method and application thereof 上海翊石医药科技有限公司 2025-03-25 CN disclosed
WO-2025021120-A1 5-HT2A RECEPTOR AGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2025-01-30 WO disclosed