SCHEMBL2554567

SCHEMBL2554567

COc1ccc(-c2nc(C=O)c[nH]2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 2/20 0.40
RECQL P46063 1/20 0.40
GLA P06280 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL15330739 0.87 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL15329643 0.84 ERN1 (0.47) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL2557542 0.84 CYP1A1 (0.48) MAPTTP53KDM4EALDH1A1SMN1; SMN2
SCHEMBL2551101 0.81 PDGFRB (0.48) ALDH1A1HPGDALOX12NFKB1NFKB2
SCHEMBL20176908 0.80 KDM4E (0.34) MAPTKDM4EALDH1A1GAAMPI
SCHEMBL2557559 0.79 PARP1 (0.36) MAOB
SCHEMBL15332234 0.78 AMY1A (0.49) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2556342 0.78 GSTP1 (0.46) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL28527368 0.77 KDM4E (0.48) KDM4EALDH1A1MEN1GAAMPI
SCHEMBL7476783 0.77 MAPT (0.51) MAPTTP53KDM4EALDH1A1SMN1; SMN2

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