SCHEMBL29955932

SCHEMBL29955932

O=Cc1c(Cl)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
ATM Q13315 1/20 0.52
POLB P06746 1/20 0.50
VCAM1 P19320 1/20 0.49
ALPL P05186 1/20 0.48
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.45
TSHR P16473 2/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL29953765 0.89 ALDH1A1 (0.62) KDM4EGAAPOLBALDH1A1MEN1
SCHEMBL12793375 0.75 ALDH1A1 (0.43) KDM4EGAAATMALPLL3MBTL1
SCHEMBL29956807 0.74 HTR6 (0.46) KDM4EPOLBVCAM1ALDH1A1MEN1
SCHEMBL22898794 0.72 LMNA (0.51) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL29363428 0.72 LMNA (0.51) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL6826652 0.72 ABCB1 (0.54) KDM4EGAAATMPOLBVCAM1
SCHEMBL4716108 0.72 NPBWR1 (0.67) KDM4EGAAPOLBVCAM1NPBWR1
SCHEMBL14227020 0.71 ALDH1A1 (0.65) KDM4EGAAATMPOLBALPL
SCHEMBL494192 0.70 KDM4E (0.74) KDM4EPOLBVCAM1NPBWR1MCHR1
SCHEMBL24522294 0.69 KDM4E (0.46) KDM4EGAAPOLBL3MBTL1ALDH1A1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed