SCHEMBL16096803

SCHEMBL16096803

COc1ccc(C)cc1N=Cc1ncc2nccnc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MMP14 P50281 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MPI P34949 1/20 0.34
ACHE P22303 1/20 0.33
POLB P06746 3/20 0.33
TP53 P04637 2/20 0.33
ALPL P05186 1/20 0.33
MITF O75030 1/20 0.33
BLM P54132 1/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
RECQL P46063 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
SCHEMBL16096799 1.00 KDM4E (0.36) KDM4EMEN1KMT2AMAPTHSP90AA1
SCHEMBL16096950 0.91 CYP1B1 (0.36) KDM4EMEN1KMT2AMAPTHSP90AA1
SCHEMBL16096947 0.91 CYP1B1 (0.36) KDM4EMEN1KMT2AMAPTHSP90AA1
SCHEMBL16096843 0.88
SCHEMBL16096845 0.88
SCHEMBL16097571 0.87
SCHEMBL28210124 0.86
SCHEMBL16096595 0.84 ALDH1A1 (0.37) KDM4EMEN1KMT2AMAPTHSP90AA1
SCHEMBL16096594 0.84 ALDH1A1 (0.37) KDM4EMEN1KMT2AMAPTHSP90AA1
SCHEMBL16097679 0.82

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