SCHEMBL2559548

SCHEMBL2559548

Nc1ccccc1-c1nc(C=O)co1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 6/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
ATAD2 Q6PL18 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
HDAC3 O15379 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
HSD17B10 Q99714 2/20 0.34
HTR2B P41595 1/20 0.34
S1PR1 P21453 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL2130891 0.75 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2DAGLA
SCHEMBL28279482 0.74 ALDH1A1 (0.43) L3MBTL1ATMALDH1A1NPC1RAB9A
SCHEMBL28280566 0.71 ENPP3 (0.56) L3MBTL1ATMALDH1A1NPC1RAB9A
SCHEMBL15330849 0.71 MECP2 (0.45) ALDH1A1NPC1RAB9AKDM4EGAA
SCHEMBL28279483 0.71 EGFR (0.43) L3MBTL1ATMALDH1A1NPC1RAB9A
SCHEMBL28280569 0.70 ALDH1A1 (0.41) L3MBTL1ATMALDH1A1NPC1RAB9A
Ammonia Solution, Strong SCHEMBL28324709 0.70 ENPP3 (0.55) L3MBTL1ATMALDH1A1NPC1RAB9A
SCHEMBL15330983 0.68 HTR2B (0.66) L3MBTL1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL12681557 0.68
SCHEMBL27768524 0.67 TP53 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2ATAD2

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