SCHEMBL2553075

SCHEMBL2553075

Cc1cc(N2CCCCC2C(N)=O)ccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
PIK3CA P42336 15/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
AR P10275 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CG P48736 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2558897 0.96 NPC1 (0.43) NPC1PKMRAB9APIK3CAAR
SCHEMBL30838421 0.85 PIK3CA (0.44) PIK3CAALDH1A1PIK3CDPIK3CGLMNA
SCHEMBL15330016 0.85 SYK (0.41) NPC1PKMRAB9ASMN1; SMN2ALDH1A1
SCHEMBL2561533 0.81 NPC1 (0.41) NPC1PKMRAB9A
SCHEMBL6391156 0.80 BACE1 (0.40) PIK3CASMN1; SMN2ALDH1A1ARMEN1
SCHEMBL2563187 0.79 TRIM24 (0.47) PIK3CASMN1; SMN2ALDH1A1AR
SCHEMBL13723947 0.77 GFER (0.45) NPC1RAB9APIK3CAALDH1A1AR
SCHEMBL28153198 0.76 ALDH1A1 (0.43) PIK3CAALDH1A1ARLMNAKMT2A
SCHEMBL28152117 0.76 ALDH1A1 (0.43) PIK3CAALDH1A1ARLMNAKMT2A
SCHEMBL15332779 0.75 NPC1 (0.51) NPC1PKMRAB9APIK3CASMN1; 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