SCHEMBL2559477

SCHEMBL2559477

CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1B(O)O

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 2/20 0.54
TP53 P04637 2/20 0.54
ALDH1A1 P00352 9/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.47
MCL1 Q07820 1/20 0.47
ADORA1 P30542 1/20 0.47
RAB9A P51151 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL2557898 0.88 HTT (0.56) HTTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL2554053 0.87 ALDH1A1 (0.55) HTTSMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL10340603 0.85 HTT (0.78) HTTSMN1; SMN2KMT2APOLBTP53
SCHEMBL31117093 0.83 HTT (1.00) HTTSMN1; SMN2KMT2APOLBTP53
SCHEMBL10340638 0.83 HTT (1.00) HTTSMN1; SMN2KMT2APOLBTP53
SCHEMBL10340616 0.81 HTT (0.71) HTTSMN1; SMN2KMT2APOLBTP53
SCHEMBL10340586 0.81 HTT (0.75) HTTSMN1; SMN2KMT2APOLBTP53
SCHEMBL2560991 0.81 ALDH1A1 (0.53) HTTSMN1; SMN2KMT2ATP53ALDH1A1
SCHEMBL2556193 0.80 ALDH1A1 (0.55) HTTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL10340550 0.77 HTT (0.65) HTTSMN1; SMN2KMT2APOLBTP53

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 7 patents. 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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed