SCHEMBL2562804

SCHEMBL2562804

O=Cc1c(Cl)cccc1OCc1cc(Br)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MGMT P16455 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPT P10636 2/20 0.33
MRGPRX4 Q96LA9 4/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2560017 0.78 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1SMN1; SMN2HPGD
SCHEMBL15330861 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2559994 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL2561409 0.75 PTGDR2 (0.42) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL4611512 0.73 NPC1 (0.57) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL15332130 0.72 PTGDR2 (0.55) ALDH1A1TDP1NPC1RAB9AHPGD
SCHEMBL2564268 0.72 SRC (0.45) ALDH1A1KMT2ATDP1SMN1; SMN2NPC1
SCHEMBL29956332 0.71 MAOB (0.63) ALDH1A1TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL29956345 0.71 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMGMTSMN1; SMN2
SCHEMBL25942993 0.71 MEN1 (0.44) ALDH1A1MEN1KMT2ATDP1SMN1; 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