SCHEMBL28820693

SCHEMBL28820693

C=CCCOc1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
EDNRA P25101 2/20 0.33
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL29566876 0.89 ALDH1A1 (0.41) KDM4EALDH1A1L3MBTL1
SCHEMBL8177565 0.76 MAPT (0.41) KDM4ECA2CA9SMN1; SMN2
SCHEMBL22799650 0.75 KDM4E (0.33) KDM4E
SCHEMBL6708469 0.73 MEN1 (0.32)
SCHEMBL29960349 0.72 KDM4E (0.41) KDM4EEDNRAALDH1A1L3MBTL1LMNA
SCHEMBL4072898 0.71 S1PR4 (0.51) KDM4EEDNRAALDH1A1LMNASMN1; SMN2
SCHEMBL29960874 0.71 S1PR4 (0.51) KDM4EEDNRAALDH1A1LMNASMN1; SMN2
SCHEMBL1065177 0.71 MAPT (0.46) KDM4ECA2CA9
SCHEMBL28899392 0.71 HIF1A (0.38) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL16581566 0.70 KDM4E (0.62) KDM4EALDH1A1L3MBTL1LMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed