SCHEMBL8504140

SCHEMBL8504140

CC(C)CN(C)c1ccccc1C[S+]([O-])n1cnc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ AGER Q15109 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.30
▸ MKNK2 Q9HBH9 1/20 0.30
▸ ASAH1 Q13510 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
SCHEMBL8440816 0.74 CYP11B1 (0.36) CYP11B1CYP11B2AGERHSD17B10MEN1
SCHEMBL9395886 0.73 FGFR1 (0.40) SMN1; SMN2TDP1MAPTTSHRLMNA
SCHEMBL9395781 0.73 FGFR1 (0.40) HSD17B10HPGDSMN1; SMN2MAPTLMNA
SCHEMBL9675803 0.72 FGFR1 (0.45) HPGDMAPK1HTT
SCHEMBL636638 0.70 CYP11B1 (0.50) CYP11B1CYP11B2AGERSMN1; SMN2TDP1
SCHEMBL9560914 0.70 TDP1 (0.46) CYP11B1CYP11B2HSD17B10MEN1HPGD
Leminoprazole SCHEMBL143740 0.68 ATP4A (0.39) MEN1KMT2ASMN1; SMN2TDP1MAPT
Leminoprazole SCHEMBL29895760 0.68 ATP4A (0.39) MEN1KMT2ASMN1; SMN2TDP1MAPT
Leminoprazole SCHEMBL143739 0.68 ATP4A (0.39) MEN1KMT2ASMN1; SMN2TDP1MAPT
Leminoprazole SCHEMBL19086179 0.67 ATP4A (0.38) MEN1KMT2ASMN1; SMN2TDP1MAPT

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
US-5929244-A TREATING AN ENANTIOMERICALLY ENRICHED PREPARATION OF THE COMPOUND IN FAVOUR OF ITS (+) OR (-)-ENANTIOMER AT ROOM TEMPERATURE OR BELOW WITH A SOLVENT SELECTED FROM KETONES, ESTERS, ALCOHOL, NITRILES, HYROCARBONS, ETHERS, AMIDES ASTRA AKTIEBOLAG (SE) 1999-07-27 — — US claimed
US-5929244-A TREATING AN ENANTIOMERICALLY ENRICHED PREPARATION OF THE COMPOUND IN FAVOUR OF ITS (+) OR (-)-ENANTIOMER AT ROOM TEMPERATURE OR BELOW WITH A SOLVENT SELECTED FROM KETONES, ESTERS, ALCOHOL, NITRILES, HYROCARBONS, ETHERS, AMIDES ASTRA AKTIEBOLAG (SE) 1999-07-27 — — US disclosed
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