SCHEMBL2558839

SCHEMBL2558839

Cc1cc(N2CCC(CC(N)=O)CC2)ccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 2/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
ALDH1A1 P00352 8/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PRKDC P78527 1/20 0.40
BRD4 O60885 1/20 0.39
LGMN Q99538 1/20 0.39
FFAR4 Q5NUL3 2/20 0.38
MAPT P10636 7/20 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
SCHEMBL15332779 0.84 NPC1 (0.51) NPC1RAB9APKMMEN1KMT2A
SCHEMBL22625965 0.80 NPC1 (0.43) NPC1RAB9APKMMEN1KMT2A
SCHEMBL22625962 0.79 NPC1 (0.43) NPC1RAB9APKMMEN1KMT2A
SCHEMBL2556203 0.78 TRIM24 (0.53) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL15650145 0.78 GFER (0.49) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL23086805 0.78 LGMN (0.62) NPC1RAB9APKMMEN1KMT2A
SCHEMBL2560384 0.77 NPC1 (0.49) NPC1RAB9APKMMEN1KMT2A
SCHEMBL10979743 0.76 ALDH1A1 (0.64) NPC1RAB9APKMMEN1KMT2A
SCHEMBL2559261 0.75 RAB9A (0.47) NPC1RAB9APKMMEN1KMT2A
SCHEMBL2557270 0.74 ALDH1A1 (0.59) NPC1RAB9AMEN1KMT2ASMN1; 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