SCHEMBL9513823

SCHEMBL9513823

CCOC(=O)C1=C(C)NC=CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PYGM P11217 1/20 0.41
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.39
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 4/20 0.37
ESR1 P03372 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
SCHEMBL7324854 0.84 TSHR (0.42) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL9671898 0.82 PYGM (0.43) MEN1KMT2AMAPTALOX15POLB
SCHEMBL13112337 0.81 MEN1 (0.42) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL21950917 0.79 KDM4E (0.53) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL7425087 0.71 KDM4E (0.59) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL30079717 0.69 TSHR (0.43) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL11317428 0.69 KMT2A (0.40) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL95164 0.68 KDM4E (1.00) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL9548196 0.68 KDM4E (0.72) MEN1KMT2AKDM4EMAPTALOX15
SCHEMBL5608026 0.68 KDM4E (0.59) MEN1KMT2AKDM4EMAPTALOX15

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773318-A Delta opioid receptor modulating compounds containing six-membered azaheterocycles, methods of use and preparation thereof 特维娜有限公司 2022-07-22 CN disclosed
CN-108025002-B Delta opioid receptor modulating compounds containing six membered azaheterocycles, methods of use and preparation thereof 特维娜有限公司 2022-05-13 CN disclosed
EP-0274379-B1 PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-30 EP disclosed
US-4973695-A FROM UNSATURATED ALDEHYDE OR KETONE WITH OXODIESTER SUGAI CHEMICAL IND. CO., LTD. (JP) 1990-11-27 US disclosed
EP-0274379-A2 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-13 EP disclosed