SCHEMBL17599210

SCHEMBL17599210

O=C=NCCCCN1CCNC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 3/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL17599217 0.95 ALDH1A1 (0.37) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL17599226 0.90 SMN1; SMN2 (0.38) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL17599248 0.88 ALDH1A1 (0.41) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL17599231 0.85 SMN1; SMN2 (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL7261352 0.82 ALDH1A1 (0.47) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL2118226 0.80 ALDH1A1 (0.46) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL11173610 0.80 ALDH1A1 (0.46) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL17599243 0.78 SMN1; SMN2 (0.41) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL13843636 0.78 ALDH1A1 (0.47) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL17599259 0.77 ALDH1A1 (0.41) ALDH1A1POLBMAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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