SCHEMBL15329636

SCHEMBL15329636

CC(C)(C)c1nn(-c2ccccc2Br)c(Cl)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MGLL Q99685 1/20 0.31
HCAR1 Q9BXC0 2/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL15329760 0.86 SMN1; SMN2 (0.41) MEN1HSP90AA1KMT2ANPC1HPGD
SCHEMBL15332333 0.85 MAPK14 (0.38) MEN1HSP90AA1KMT2AOPRM1NPC1
SCHEMBL15331574 0.84 KMT2A (0.38) MEN1HSP90AA1KMT2ANPC1HPGD
SCHEMBL15331216 0.82 OPRM1 (0.43) MEN1KMT2AOPRM1NPC1HPGD
SCHEMBL2557282 0.81 MGLL (0.35) MEN1KMT2AOPRM1GSK3AGSK3B
SCHEMBL29956092 0.80 KMT2A (0.48) MEN1HSP90AA1KMT2ANPC1HPGD
SCHEMBL15330023 0.79 KMT2A (0.38) MEN1HSP90AA1KMT2ANPSR1MGLL
SCHEMBL15330539 0.78 OPRM1 (0.33) MEN1KMT2AOPRM1GSK3AGSK3B
SCHEMBL15330838 0.78 NPSR1 (0.35) OPRM1GSK3AGSK3BNPC1HPGD
SCHEMBL15332122 0.76 NPC1 (0.34) OPRM1GSK3AGSK3BNPC1HPGD

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 5 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