SCHEMBL29953233

SCHEMBL29953233

COc1ccc(CN(C2CC2)S(=O)(=O)c2cccc(B(O)O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CNR1 P21554 1/20 0.53
▸ CNR2 P34972 1/20 0.53
▸ TAS2R14 Q9NYV8 3/20 0.50
▸ KCNA5 P22460 1/20 0.49
▸ TSHR P16473 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ OPRK1 P41145 3/20 0.45
▸ MMP1 P03956 2/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ EP300 Q09472 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ NLRP3 Q96P20 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
SCHEMBL29952020 0.88 CNR1 (0.61) L3MBTL1CNR1CNR2TAS2R14KCNA5
SCHEMBL15798156 0.83 CNR1 (0.70) L3MBTL1CNR1CNR2TAS2R14KCNA5
SCHEMBL29956254 0.80 TAS2R14 (0.53) TAS2R14MMP9MMP13NLRP3
SCHEMBL22436191 0.80 CNR1 (0.57) L3MBTL1CNR1CNR2TAS2R14KCNA5
SCHEMBL28645985 0.75 TAS2R14 (0.47) L3MBTL1CNR1CNR2TAS2R14KCNA5
SCHEMBL20847546 0.73 HDAC6 (0.61) L3MBTL1CNR1CNR2KCNA5TSHR
SCHEMBL7148857 0.73 MEN1 (0.56) L3MBTL1CNR1CNR2KCNA5TSHR
SCHEMBL29285992 0.73 PGR (0.64) L3MBTL1TSHRMEN1LMNAMAPT
SCHEMBL7347672 0.71 KCNA5 (0.58) L3MBTL1CNR1CNR2TAS2R14KCNA5
SCHEMBL29285993 0.71 CYP19A1 (0.63) TSHRMEN1LMNAMAPTKMT2A

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
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