SCHEMBL2556532

SCHEMBL2556532

COc1cc(C=O)c(Br)cc1OCC(N)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
PRKDC P78527 1/20 0.66
MAPK1 P28482 1/20 0.58
MAPT P10636 4/20 0.58
LMNA P02545 4/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 2/20 0.47
SNCA P37840 1/20 0.47
MITF O75030 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PRNP P04156 1/20 0.44
GAA P10253 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
SCHEMBL29953540 0.87 PRKDC (0.68) ALDH1A1PRKDCMAPTLMNAHPGD
SCHEMBL2559619 0.83 ALDH1A1 (1.00) ALDH1A1PRKDCMAPK1MAPTLMNA
SCHEMBL515642 0.81 PRKDC (1.00) ALDH1A1PRKDCMAPTLMNAHPGD
SCHEMBL14835649 0.80 LMNA (0.87) ALDH1A1PRKDCMAPTLMNAHPGD
SCHEMBL1620382 0.80 LMNA (0.87) ALDH1A1PRKDCMAPTLMNAHPGD
SCHEMBL25692518 0.79 PRKDC (0.74) ALDH1A1PRKDCMAPTLMNAHPGD
SCHEMBL29976495 0.79 PRKDC (0.74) ALDH1A1PRKDCMAPTLMNAHPGD
SCHEMBL2555685 0.79 ALDH1A1 (0.69) ALDH1A1PRKDCMAPK1MAPTLMNA
SCHEMBL19640177 0.78 PRKDC (0.72) ALDH1A1PRKDCMAPTLMNAHPGD
SCHEMBL19640183 0.77 PRKDC (0.70) ALDH1A1PRKDCMAPTLMNAHPGD

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