SCHEMBL28320356

SCHEMBL28320356

CCCCn1ccnc1C(CC)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
TLR8 Q9NR97 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ARG1 P05089 1/20 0.36
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
FPR2 P25090 1/20 0.34

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
SCHEMBL28915264 0.94 TLR8 (0.47) ALDH1A1POLBKMT2ATLR8SMN1; SMN2
SCHEMBL29275155 0.91 SMN1; SMN2 (0.42) ALDH1A1POLBKMT2ATLR8SMN1; SMN2
SCHEMBL28722227 0.90 ALDH1A1 (0.46) ALDH1A1POLBKMT2ATLR8SMN1; SMN2
Sulfuric Acid SCHEMBL29090850 0.89 ALDH1A1 (0.45) ALDH1A1POLBKMT2ATLR8SMN1; SMN2
SCHEMBL28831793 0.88 LMNA (0.41) ALDH1A1POLBKMT2ATLR8SMN1; SMN2
SCHEMBL28457550 0.86 MAPT (0.42) ALDH1A1POLBKMT2ASMN1; SMN2LMNA
SCHEMBL27998888 0.80 L3MBTL1 (0.42) ALDH1A1KMT2ASMN1; SMN2PKMLMNA
Hydrochloric Acid SCHEMBL29043668 0.79 L3MBTL1 (0.41) ALDH1A1KMT2ASMN1; SMN2PKMLMNA
Sulfuric Acid SCHEMBL28423116 0.79 L3MBTL1 (0.41) ALDH1A1KMT2ASMN1; SMN2PKMLMNA
Bromide SCHEMBL28320357 0.79 L3MBTL1 (0.41) ALDH1A1KMT2ASMN1; SMN2PKMLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110064432-B Short-pore mesoporous silicon supported chloroaluminate ionic liquid catalyst and preparation method thereof 南京工业大学 2022-04-26 CN claimed
CN-110064432-A Short-pore mesoporous silicon supported chloroaluminate ionic liquid catalyst and preparation method thereof 南京工业大学 2019-07-30 CN claimed
CN-110064432-B Short-pore mesoporous silicon supported chloroaluminate ionic liquid catalyst and preparation method thereof 南京工业大学 2022-04-26 CN disclosed
CN-110064432-A Short-pore mesoporous silicon supported chloroaluminate ionic liquid catalyst and preparation method thereof 南京工业大学 2019-07-30 CN disclosed