SCHEMBL17599243

SCHEMBL17599243

O=C=NCCN1CCCNC1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 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
PER2 O15055 2/20 0.34
CRY2 Q49AN0 1/20 0.32
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
POLB P06746 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
SCHEMBL17599231 0.90 SMN1; SMN2 (0.39) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL17599248 0.89 ALDH1A1 (0.41) SMN1; SMN2MAPTALDH1A1KDM4ECYP2C9
SCHEMBL17599226 0.89 SMN1; SMN2 (0.38) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL17599253 0.82 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL17599217 0.79 ALDH1A1 (0.37) SMN1; SMN2MAPTALDH1A1KDM4ECYP2C9
SCHEMBL17599210 0.78 ALDH1A1 (0.36) SMN1; SMN2MAPTALDH1A1KDM4ECYP2C9
SCHEMBL20733275 0.75 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL22662833 0.75 SMN1; SMN2 (0.53) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL9723311 0.75 CHRM2 (0.43) ALDH1A1CYP2C9CYP2C19
SCHEMBL13123492 0.74 ALDH1A1 (0.40) SMN1; SMN2MAPTALDH1A1KDM4ECYP2C9

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-105229041-B Nitrogen-containing heterocycle compound improved polyalkene and adhesive composition containing it 东洋纺株式会社 2019-04-19 CN disclosed
US-10253114-B2 Polyolefin modified with nitrogen-containing heterocyclic compound, and adhesive composition containing same TOYOBO CO., LTD. (JP) 2019-04-09 US disclosed
US-20160130373-A1 POLYOLEFIN MODIFIED WITH NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND ADHESIVE COMPOSITION CONTAINING SAME TOYOBO CO., LTD. (JP) 2016-05-12 US disclosed
EP-2998327-A1 POLYOLEFIN MODIFIED WITH NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND ADHESIVE COMPOSITION CONTAINING SAME TOYOBO CO., LTD. (JP) 2016-03-23 EP disclosed