SCHEMBL17499336

SCHEMBL17499336

COC(CN=Cc1cncn1C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
FNTA P49354 3/20 0.31
FNTB P49356 3/20 0.31
PGGT1B P53609 3/20 0.31
HPGDS O60760 1/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ABCB11 O95342 1/20 0.30
GABRA2 P47869 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
SCHEMBL17499352 0.88 MEN1 (0.30) PDE4AMEN1KMT2ATAAR1FNTA
SCHEMBL28039870 0.78 MET (0.42) MEN1KMT2ATAAR1CYP1A2LMNA
SCHEMBL17499455 0.76 MEN1 (0.33) MEN1KMT2ATAAR1DYRK3CLK1
SCHEMBL16097741 0.76 TAAR1 (0.39) MEN1KMT2ATAAR1DYRK3CLK1
SCHEMBL17499115 0.75 KDM4E (0.40) MEN1KMT2ATAAR1DYRK3CLK1
SCHEMBL17499789 0.74 MEN1 (0.34) MEN1KMT2ATAAR1LMNADYRK3
SCHEMBL28039852 0.74 MET (0.42) MEN1KMT2ATAAR1CYP1A2LMNA
SCHEMBL16096005 0.74 MEN1 (0.43) MEN1KMT2ATAAR1CYP11B2DYRK3
SCHEMBL16097842 0.74 ALDH1A1 (0.46) MAPK1MEN1KMT2ATAAR1CYP11B1
SCHEMBL16097183 0.73 MEN1 (0.36) MEN1KMT2ATAAR1DYRK3CLK1

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