SCHEMBL16096950

SCHEMBL16096950

COc1cc(C)ccc1N=Cc1ncc2nccnc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.36
ACHE P22303 1/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 4/20 0.32
MAPT P10636 4/20 0.32
KMT2A Q03164 4/20 0.32
HTT P42858 2/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 0.32
MMP14 P50281 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 5/20 0.31
LCK P06239 4/20 0.31
POLB P06746 2/20 0.31
CSF1R P07333 1/20 0.31
ALPL P05186 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL16096947 1.00 CYP1B1 (0.36) CYP1B1ACHEPDGFRBPDGFRAKDM4E
SCHEMBL16096803 0.91 KDM4E (0.36) ACHEPDGFRBPDGFRAKDM4EMEN1
SCHEMBL16096799 0.91 KDM4E (0.36) ACHEPDGFRBPDGFRAKDM4EMEN1
SCHEMBL16097682 0.89
SCHEMBL16097679 0.89
SCHEMBL16096244 0.87
SCHEMBL28210134 0.86
SCHEMBL16096595 0.84 ALDH1A1 (0.37) PDGFRBPDGFRAKDM4EMEN1MAPT
SCHEMBL16096594 0.84 ALDH1A1 (0.37) PDGFRBPDGFRAKDM4EMEN1MAPT
SCHEMBL16096845 0.84

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