SCHEMBL17599248

SCHEMBL17599248

O=C=NCCN1CCNC1=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 3/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
LMNA P02545 1/20 0.35

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 0.89 ALDH1A1 (0.37) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL17599243 0.89 SMN1; SMN2 (0.41) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL17599210 0.88 ALDH1A1 (0.36) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL13123492 0.84 ALDH1A1 (0.40) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL17599259 0.81 ALDH1A1 (0.41) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL17599231 0.80 SMN1; SMN2 (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL18434096 0.79 ALDH1A1 (0.43) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL17599226 0.78 SMN1; SMN2 (0.38) ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL13236669 0.77 ALDH1A1 (0.50) ALDH1A1POLBMAPTCYP2C9CYP2C19
SCHEMBL7261352 0.73 ALDH1A1 (0.47) 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