SCHEMBL17499356

SCHEMBL17499356

COc1ccccc1/N=C/c1nccn1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 3/20 0.45
CASP1 P29466 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
FGB P02675 1/20 0.39
ALOX15 P16050 1/20 0.39
TNNI3 P19429 1/20 0.39
MAPK1 P28482 1/20 0.39
BRCA1 P38398 1/20 0.39
TNNT2 P45379 1/20 0.39
CASP7 P55210 1/20 0.39
TNNC1 P63316 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
NPC1 O15118 1/20 0.39
NSD2 O96028 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL17499358 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499135 0.86 KDM4E (0.33) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499131 0.86 KDM4E (0.33) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL14769327 0.81 MAPT (0.41) ALDH1A1KDM4EMEN1KMT2AMAPK1
SCHEMBL17499767 0.77 GRIN2B (0.40) ALDH1A1HSD17B10CASP1MEN1KMT2A
SCHEMBL16101288 0.77 MEN1 (0.39) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499111 0.77 TDP1 (0.38) ALDH1A1KDM4EHSD17B10CASP1MEN1
SCHEMBL17499764 0.77 GRIN2B (0.40) ALDH1A1HSD17B10CASP1MEN1KMT2A
SCHEMBL16097348 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL16097350 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10CASP1RXFP1

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
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-9545623-B2 Nickel-based catalytic composition and method of oligomerization of olefins using said composition IFP Energies Nouvelles (FR) 2017-01-17 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed