SCHEMBL17499111

SCHEMBL17499111

COc1ccccc1C(C)/N=C/c1nccn1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 2/20 0.37
FGB P02675 1/20 0.37
ALOX15 P16050 1/20 0.37
TNNI3 P19429 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
TNNT2 P45379 1/20 0.37
CASP7 P55210 1/20 0.37
TNNC1 P63316 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 1/20 0.35
ADRA1A P35348 1/20 0.34
SMN1; SMN2 Q16637 3/20 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
SCHEMBL17499241 0.89 KDM4E (0.30) KDM4E
SCHEMBL16471861 0.79 KDM4E (0.45) TDP1MEN1KMT2AHSD17B10ALOX15
SCHEMBL16099266 0.77 RAB9A (0.38) TDP1MEN1KMT2AHSD17B10MAPK1
SCHEMBL16099267 0.77 RAB9A (0.38) TDP1MEN1KMT2AHSD17B10MAPK1
SCHEMBL17499356 0.77 ALDH1A1 (0.45) MEN1KMT2AHSD17B10FGBALOX15
SCHEMBL17499358 0.77 ALDH1A1 (0.45) MEN1KMT2AHSD17B10FGBALOX15
SCHEMBL17499450 0.75 SMN1; SMN2 (0.35) MEN1KMT2AHSD17B10MAPK1CYP19A1
SCHEMBL17499448 0.75 SMN1; SMN2 (0.35) MEN1KMT2AHSD17B10MAPK1CYP19A1
SCHEMBL16103213 0.75 KDM4E (0.52) TDP1MEN1KMT2AHSD17B10ALOX15
SCHEMBL16097752 0.75 KDM4E (0.46) TDP1MEN1KMT2AMAPK1NFE2L2

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
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
US-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed