SCHEMBL29065895

SCHEMBL29065895

COC(c1ccccc1)c1nccn1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
MAPT P10636 2/20 0.47
CYP2D6 P10635 2/20 0.47
KMT2A Q03164 4/20 0.44
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 2/20 0.43
FGB P02675 1/20 0.43
TNNI3 P19429 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
BRCA1 P38398 1/20 0.43
TNNT2 P45379 1/20 0.43
CASP7 P55210 1/20 0.43
TNNC1 P63316 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
Hydrochloric Acid SCHEMBL29065893 0.98 KDM4E (0.59) KDM4EMAPTCYP2D6KMT2AALOX15
SCHEMBL28215659 0.83 KDM4E (0.56) KDM4EMAPTCYP2D6KMT2AALOX15
SCHEMBL2977762 0.82 KDM4E (0.49) KDM4EMAPTCYP2D6KMT2AALOX15
SCHEMBL3401057 0.77 KDM4E (0.67) KDM4EMAPTCYP2D6KMT2AALOX15
SCHEMBL4913400 0.77 SLC6A2 (0.61) KDM4EMAPTCYP2D6HSD17B10MAPK1
SCHEMBL950298 0.76 KDM4E (0.65) KDM4EMAPTCYP2D6KMT2AALOX15
Hydrochloric Acid SCHEMBL29054527 0.76 KDM4E (0.65) KDM4EMAPTCYP2D6KMT2AALOX15
SCHEMBL30824582 0.76 KDM4E (0.65) KDM4EMAPTCYP2D6KMT2AALOX15
SCHEMBL1503496 0.75 KDM4E (0.63) KDM4EMAPTCYP2D6KMT2AMEN1
SCHEMBL28072046 0.72 KDM4E (0.59) KDM4EMAPTCYP2D6KMT2AALOX15

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
CN-117624639-A Preparation method and preparation system of cellulose solution 山东中科恒联生物基材料有限公司 2024-03-01 CN disclosed
CN-117089937-A Natural polymer conductive fiber and preparation method and application thereof 中国科学院化学研究所 2023-11-21 CN disclosed
CN-116789990-A Biomass microsphere and preparation method and application thereof 中国科学院化学研究所 2023-09-22 CN disclosed
CN-116712787-A Recovery method and recovery device for solvent for preparing regenerated cellulose material 山东中科恒联生物基材料有限公司 2023-09-08 CN disclosed
CN-116284844-A Natural polymer micro-nano functional material and preparation method and application thereof 中国科学院化学研究所 2023-06-23 CN disclosed