SCHEMBL16101893

SCHEMBL16101893

COc1ccccc1N=C(C)c1nccn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
FGB P02675 1/20 0.41
ALOX15 P16050 1/20 0.41
TNNI3 P19429 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
TNNT2 P45379 1/20 0.41
CASP7 P55210 1/20 0.41
TNNC1 P63316 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
NPC1 O15118 1/20 0.40
NSD2 O96028 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL17499209 0.86 NAMPT (0.35) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL17499253 0.85 NAMPT (0.34) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL16102952 0.83 ALDH1A1 (0.42) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL16095897 0.76 MAPT (0.48) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL16102246 0.75 RAB9A (0.55) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL16101444 0.74 ALDH1A1 (0.41) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL16102137 0.74 ALDH1A1 (0.41) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL17499573 0.73 ALDH1A1 (0.46) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL16101645 0.73 ALDH1A1 (0.43) ALDH1A1MAPTHSD17B10LMNAMEN1
SCHEMBL17499695 0.72 MAPT (0.42) ALDH1A1MAPTHSD17B10LMNAMEN1

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 5 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
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 EP disclosed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO disclosed