SCHEMBL29958089

SCHEMBL29958089

O=S(=O)(Nc1cccc2ccccc12)c1ccc(B(O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.74
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
ALDH1A1 P00352 2/20 0.69
MAPT P10636 1/20 0.69
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
METAP2 P50579 2/20 0.52
METAP1 P53582 1/20 0.52
KEAP1 Q14145 3/20 0.51
ALOX12 P18054 3/20 0.51
CHEK1 O14757 1/20 0.50
CDK8 P49336 1/20 0.50
NEK2 P51955 1/20 0.50
LIMK1 P53667 1/20 0.50
MMP2 P08253 1/20 0.49
NFE2L2 Q16236 2/20 0.49
G6PD P11413 1/20 0.48
NAMPT P43490 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL1428546 0.86 RECQL (1.00) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL7537943 0.83 RECQL (0.76) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL7578880 0.80 KEAP1 (0.76) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL164503 0.80 RECQL (0.76) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL7573136 0.80 KEAP1 (0.76) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL7196466 0.79 KMT2A (0.75) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL7536143 0.78 RECQL (0.71) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL27499581 0.77 RECQL (0.76) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL9942077 0.77 RECQL (0.71) RECQLKMT2AMEN1ALDH1A1MAPT
SCHEMBL163325 0.77 RECQL (0.69) RECQLKMT2AMEN1ALDH1A1MAPT

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