SCHEMBL29953713

SCHEMBL29953713

CCCCNS(=O)(=O)c1cccc(B(O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.50
FBP1 P09467 1/20 0.48
LPL P06858 2/20 0.48
LIPG Q9Y5X9 2/20 0.48
LMNA P02545 4/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
EPHX2 P34913 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 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
SCHEMBL3968323 1.00 ALDH1A1 (0.56) ALDH1A1KMT2ATSHRFBP1LPL
SCHEMBL5706236 0.96 LMNA (0.52) ALDH1A1KMT2ATSHRLPLLIPG
SCHEMBL934547 0.84 KMT2A (0.47) ALDH1A1KMT2ATSHRLPLLIPG
SCHEMBL29953841 0.83 CYP2C19 (0.61) ALDH1A1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL520372 0.83 CYP2C19 (0.61) ALDH1A1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL8064506 0.83 LMNA (0.55) ALDH1A1KMT2ATSHRLMNAHTT
SCHEMBL20202315 0.81 ALDH1A1 (0.66) ALDH1A1KMT2ATSHRFBP1LMNA
SCHEMBL21988575 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AFBP1LMNASMN1; SMN2
SCHEMBL8548241 0.80 KMT2A (0.78) ALDH1A1KMT2ATSHRFBP1LMNA
SCHEMBL922624 0.79 PRMT1 (0.62) ALDH1A1KMT2ATSHRFBP1LMNA

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