SCHEMBL25059352

SCHEMBL25059352

O=S(=O)(c1ccccc1)N1CCNC(CO)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.56
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CXCR4 P61073 2/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL6791798 0.84 PKM (0.64) TDO2ALDH1A1LMNASMN1; SMN2CXCR4
SCHEMBL17308350 0.81 PRMT5 (0.45) TDO2ALDH1A1CYP2D6
SCHEMBL17303504 0.80 PRMT5 (0.45) TDO2ALDH1A1CYP2C19CYP2D6
SCHEMBL18672997 0.80 PRMT5 (0.45) TDO2ALDH1A1CYP2C19CYP2D6
SCHEMBL17346 0.79 L3MBTL1 (0.51) ALDH1A1LMNAPOLBGAACYP2D6
Hydrochloric Acid SCHEMBL16426 0.78 L3MBTL1 (0.50) ALDH1A1LMNAPOLBGAACYP2D6
Hydrochloric Acid SCHEMBL16427 0.78 L3MBTL1 (0.50) ALDH1A1LMNAPOLBGAACYP2D6
SCHEMBL28273224 0.78 PKM (0.46) ALDH1A1LMNASMN1; SMN2POLBGAA
SCHEMBL6298944 0.77 TDO2 (0.52) TDO2CXCR4
SCHEMBL28696122 0.75 POLB (0.44) ALDH1A1LMNASMN1; SMN2POLBGAA

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
EP-3498701-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2023-02-22 EP disclosed