SCHEMBL17499648

SCHEMBL17499648

COc1c(C)cccc1/N=C/c1cnn(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 6/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MET P08581 1/20 0.32
GSK3B P49841 1/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MPI P34949 1/20 0.31
RECQL P46063 1/20 0.31
HPGD P15428 3/20 0.31
TLR8 Q9NR97 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CASP1 P29466 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
SCHEMBL17499649 1.00 ALDH1A1 (0.34) ALDH1A1GAAL3MBTL1KDM4EKMT2A
SCHEMBL17499416 0.87 KDM4E (0.32) ALDH1A1GAAL3MBTL1KDM4EKMT2A
SCHEMBL17499413 0.87 KDM4E (0.32) ALDH1A1GAAL3MBTL1KDM4EKMT2A
SCHEMBL28039892 0.85 KDM4E (0.31) ALDH1A1GAAKDM4EKMT2AUSP2
SCHEMBL17499339 0.81 ALDH1A1 (0.45) ALDH1A1GAAL3MBTL1KDM4EKMT2A
SCHEMBL17499337 0.81 ALDH1A1 (0.45) ALDH1A1GAAL3MBTL1KDM4EKMT2A
SCHEMBL16096221 0.80 JAK2 (0.37) ALDH1A1KDM4EKMT2AMEN1MET
SCHEMBL16096219 0.80 JAK2 (0.37) ALDH1A1KDM4EKMT2AMEN1MET
SCHEMBL16101361 0.78 PDCD1LG2 (0.35) ALDH1A1GAAKMT2AMEN1HSD17B10
SCHEMBL17499198 0.76 CYP1B1 (0.46) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2

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 3 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