SCHEMBL16102403

SCHEMBL16102403

COc1c(C)cccc1N=C(c1ccccc1)c1cn(C)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MITF O75030 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
AGTR1 P30556 1/20 0.31
OPRK1 P41145 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL17499590 0.88 ESR2 (0.35) ESR2ESR1MEN1KMT2A
SCHEMBL16101395 0.87 ESR2 (0.36) ESR2ESR1MEN1KMT2A
SCHEMBL16101252 0.84 MEN1 (0.31) MEN1KMT2A
SCHEMBL16101253 0.83 HTT (0.39) MEN1KMT2AMITFLMNAHTT
SCHEMBL16098506 0.81 LMNA (0.48) ESR2ESR1MEN1KMT2AL3MBTL1
SCHEMBL16100440 0.81 ALDH1A1 (0.36) MEN1KMT2AMITFLMNAHTT
SCHEMBL16096540 0.80 TBXA2R (0.44) ESR2ESR1MEN1KMT2AL3MBTL1
SCHEMBL16096637 0.79 MEN1 (0.41) ESR2ESR1MEN1KMT2AL3MBTL1
SCHEMBL16101567 0.79 ESR2 (0.39) ESR2ESR1MEN1KMT2AL3MBTL1
SCHEMBL16101628 0.78 KMT2A (0.40) MEN1KMT2AMITFLMNAHTT

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