SCHEMBL28111502

SCHEMBL28111502

C=C(C(=O)OCC)S(=O)(=O)c1ccccc1N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
HTR6 P50406 1/20 0.42
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 4/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.37
CA2 P00918 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA4 P22748 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
SCHEMBL9755720 0.76 ALDH1A1 (0.56) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL28114918 0.73 ALDH1A1 (0.41) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL29176394 0.70 GAA (0.44) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL9755721 0.70 ALDH1A1 (0.50) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL27419618 0.69 HTR6 (0.47) ALDH1A1MAPTHTR6LMNAKDM4E
SCHEMBL927402 0.69 ALDH1A1 (0.41) ALDH1A1MAPTLMNAKDM4EMEN1
SCHEMBL9755727 0.68 MEN1 (0.58) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL990746 0.68 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL1174173 0.68 ALDH1A1 (0.47) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL9755713 0.67 ALDH1A1 (0.46) ALDH1A1LMNAGAAHPGDCA2

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-107021951-A SGC stimulators 铁木医药有限公司 2017-08-08 CN disclosed
CN-103313976-B sGC stimulators 铁木医药有限公司 2016-11-23 CN disclosed