SCHEMBL16095925

SCHEMBL16095925

COc1cc(C)ccc1N=CCc1nccnc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
MAPT P10636 6/20 0.34
L3MBTL1 Q9Y468 5/20 0.34
HPGD P15428 4/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HTT P42858 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL16098038 0.88
SCHEMBL17499522 0.86
SCHEMBL28040309 0.85
SCHEMBL16097325 0.85 MAPT (0.40) ACHEMAPTL3MBTL1HPGDCYP2C9
SCHEMBL16095772 0.84 MAPT (0.38) MAPTL3MBTL1HPGDMEN1KMT2A
SCHEMBL16096423 0.81 MAPT (0.40) ACHEMAPTL3MBTL1HPGDCYP2C9
SCHEMBL16098400 0.80 KDM4E (0.40) ACHEMAPTL3MBTL1HPGDCYP2C9
SCHEMBL16096558 0.78 PKM (0.46) MAPTL3MBTL1HPGDMEN1MAPK1
SCHEMBL16097302 0.77 ACHE (0.35) ACHEMAPTL3MBTL1HPGDCYP2C9
SCHEMBL16096015 0.77 CYP1B1 (0.41) ACHEMAPTL3MBTL1HPGDCYP2C9

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