SCHEMBL7198539

SCHEMBL7198539

O=C1CCC(=O)N1OS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 3/20 0.50
ALDH1A1 P00352 12/20 0.43
KDM4E B2RXH2 9/20 0.43
HPGD P15428 8/20 0.43
MAPT P10636 7/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
F2 P00734 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 2/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL3859448 0.81 KDM4E (0.34) PARLALDH1A1KDM4EHPGDMAPT
SCHEMBL65216 0.81 PARL (0.58) PARLALDH1A1KDM4EHPGDMAPT
SCHEMBL27823782 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL28193525 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL7198534 0.74 AURKA (0.39) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL27550503 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL15353366 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL15353362 0.73 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL732863 0.72 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL450357 0.71 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDMAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026575-B Method for amplifying nucleic acid sequence 哈佛学院董事及会员团体 2022-08-19 CN disclosed
US-20030087239-A1 Target activated nucleic acid biosensor and methods of using same ARCHEMIX CORPORATION 2003-05-08 US disclosed