SCHEMBL2561426

SCHEMBL2561426

O=Cc1c(Cl)cccc1OCC(=O)NC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.60
ALDH1A1 P00352 4/20 0.60
NPC1 O15118 4/20 0.60
KMT2A Q03164 6/20 0.58
HPGD P15428 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 1/20 0.58
MEN1 O00255 4/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
ATM Q13315 1/20 0.54
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL2559155 0.95 HPGD (0.56) RAB9AALDH1A1NPC1KMT2AHPGD
SCHEMBL2753167 0.84 RAB9A (0.81) RAB9AALDH1A1NPC1KMT2AHPGD
SCHEMBL15332318 0.83 KMT2A (0.50) RAB9AALDH1A1KMT2AHPGDMEN1
SCHEMBL2555999 0.81 HPGD (0.52) RAB9AALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL29956687 0.80 HPGD (0.67) RAB9AALDH1A1NPC1KMT2AHPGD
SCHEMBL15332743 0.79 PKM (0.49) RAB9AALDH1A1NPC1KMT2AHPGD
SCHEMBL2561346 0.79 RAB9A (0.68) RAB9AALDH1A1NPC1KMT2AHPGD
SCHEMBL29952732 0.79 ALDH1A1 (0.68) RAB9AALDH1A1NPC1KMT2AHPGD
SCHEMBL2563246 0.79 SMN1; SMN2 (0.56) RAB9AALDH1A1NPC1KMT2AHPGD
SCHEMBL2561844 0.77 TSHR (0.53) RAB9AALDH1A1NPC1KMT2AHPGD

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