SCHEMBL17499337

SCHEMBL17499337

COc1ccccc1/N=C/c1cnn(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
KDM4E B2RXH2 5/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.39
CYP1B1 Q16678 1/20 0.38
HPGD P15428 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SENP7 Q9BQF6 1/20 0.38
MAPT P10636 4/20 0.38
UBE2N P61088 1/20 0.38
HIF1A Q16665 2/20 0.37
PABPC1 P11940 1/20 0.36
TSHR P16473 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL17499339 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499168 0.86 GSK3B (0.34) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499165 0.86 GSK3B (0.34) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499198 0.83 CYP1B1 (0.46) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL17499409 0.83 MPI (0.38) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL17499197 0.83 CYP1B1 (0.46) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL17499407 0.83 MPI (0.38) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL17499649 0.81 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499648 0.81 ALDH1A1 (0.34) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL16096221 0.80 JAK2 (0.37) ALDH1A1KDM4EHSD17B10KMT2AMEN1

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