SCHEMBL21711068

SCHEMBL21711068

NCCN1CCCCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
PER2 O15055 2/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
POLB P06746 3/20 0.34
GAA P10253 1/20 0.34
CDA P32320 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL1446337 0.94 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL27780 0.85
Ammonia Solution, Strong SCHEMBL1579773 0.83 ALDH1A1 (0.43) SMN1; SMN2MAPTALDH1A1KDM4EPOLB
SCHEMBL1421683 0.82 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL11050898 0.82 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL8048986 0.81 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL28275290 0.77 KMT2A (0.49) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL20656243 0.77 SCN9A (0.40) SMN1; SMN2MAPTALDH1A1KDM4EPOLB
SCHEMBL20733275 0.77 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL22662833 0.77 SMN1; SMN2 (0.53) SMN1; SMN2MAPTALDH1A1KDM4EHPGD

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-11135544-B2 Acidic gas absorbent, acidic gas removal method and acidic gas removal apparatus KABUSHIKI KAISHA TOSHIBA (JP) 2021-10-05 US disclosed
US-20200047110-A1 ACIDIC GAS ABSORBENT, ACIDIC GAS REMOVAL METHOD AND ACIDIC GAS REMOVAL APPARATUS KABUSHIKI KAISHA TOSHIBA (JP) 2020-02-13 US disclosed