SCHEMBL2554793

SCHEMBL2554793

Cc1ccc(C)c(NC(=O)COc2ccccc2C=O)c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.65
NFKB1 P19838 1/20 0.65
RAB9A P51151 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
POLB P06746 3/20 0.58
HTT P42858 1/20 0.57
TP53 P04637 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.51
LMNA P02545 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.50
BRD4 O60885 1/20 0.50
ATM Q13315 1/20 0.50
THRB P10828 1/20 0.49

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
SCHEMBL2557105 0.90 NPC1 (0.61) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2562171 0.87 NPC1 (0.63) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL24590536 0.86 NPC1 (0.56) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2561851 0.82 NPC1 (0.70) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2558146 0.81 NPC1 (0.60) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2560526 0.81 NPC1 (0.80) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2556639 0.81 NPC1 (0.69) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2555203 0.81 NPC1 (0.69) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL15331381 0.80 USP2 (0.65) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2556163 0.79 POLB (0.58) NPC1NFKB1RAB9ANFKB2RELA

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