SCHEMBL16101720

SCHEMBL16101720

COc1cc(C)ccc1N=CCc1cn(C)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 1/20 0.33
MTOR P42345 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 4/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 4/20 0.33
EHMT2 Q96KQ7 1/20 0.32
QPCT Q16769 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HTT P42858 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL16096913 0.90 KMT2A (0.37) ACHECYP2C9CYP2C19TSHRMTOR
SCHEMBL17499542 0.89 CYP2C9 (0.33) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL16101612 0.87 CYP2C9 (0.31) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL16102164 0.84 KDM4E (0.38) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL17499746 0.83 CYP2C9 (0.32) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL16101439 0.80 CYP2C9 (0.31) CYP2C9CYP2C19TSHRMTORHRH4
SCHEMBL17499607 0.79 CYP1B1 (0.39) ACHEPOLBKDM4ETDP1KMT2A
SCHEMBL17499605 0.79 CYP1B1 (0.39) ACHEPOLBKDM4ETDP1KMT2A
SCHEMBL16096558 0.78 PKM (0.46) KDM4ETDP1KMT2AMEN1MAPT
SCHEMBL16098119 0.77 CYP2C9 (0.34) CYP2C9CYP2C19TSHRMTORHRH4

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