SCHEMBL16101192

SCHEMBL16101192

COc1ccc(C)cc1/N=C/c1ncncn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
MPI P34949 1/20 0.40
KDM4E B2RXH2 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP14 P50281 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
LMNA P02545 3/20 0.36
RECQL P46063 2/20 0.35
HPGD P15428 3/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
POLB P06746 2/20 0.35

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
SCHEMBL16101193 1.00 ACHE (0.41) ACHEMPIKDM4EKMT2AMAPT
SCHEMBL16100614 0.88 CYP1B1 (0.42) ACHEKDM4EKMT2AMAPTHTT
SCHEMBL16100612 0.88 CYP1B1 (0.42) ACHEKDM4EKMT2AMAPTHTT
SCHEMBL16096661 0.87 KDM4E (0.48) ACHEMPIKDM4EKMT2AMAPT
SCHEMBL16096662 0.87 KDM4E (0.48) ACHEMPIKDM4EKMT2AMAPT
SCHEMBL17499816 0.86 KDM4E (0.34) MPIKDM4EKMT2AMAPTHTT
SCHEMBL17499812 0.86 KDM4E (0.34) MPIKDM4EKMT2AMAPTHTT
SCHEMBL17499672 0.85 KDM4E (0.33) KDM4EMAPTHTTLMNA
SCHEMBL28210142 0.83 KDM4E (0.33) KDM4EMAPTHTTLMNA
SCHEMBL16101559 0.80 ALDH1A1 (0.43) KDM4EKMT2AMAPTMEN1HSP90AA1

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