SCHEMBL29670732

SCHEMBL29670732

COC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5C P41229 9/20 1.00
KDM4E B2RXH2 8/20 1.00
KDM4C Q9H3R0 7/20 1.00
KDM2A Q9Y2K7 6/20 1.00
KDM3A Q9Y4C1 6/20 1.00
KDM6B O15054 5/20 1.00
JMJD6 Q6NYC1 2/20 0.66
KDM4A O75164 6/20 0.60
KDM5B Q9UGL1 7/20 0.59
P4HA1 P13674 1/20 0.58
KDM4B O94953 3/20 0.55
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM5A P29375 3/20 0.51
TSHR P16473 1/20 0.50
TET3 O43151 1/20 0.50

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
SCHEMBL2868531 1.00 KDM5C (1.00) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL10052344 0.94 KDM5C (0.88) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL70279 0.93 KDM4E (0.86) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL29894587 0.93 KDM4E (0.86) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL6514670 0.91 KDM4E (0.83) KDM5CKDM4EKDM4CKDM2AKDM3A
Hydrochloric Acid SCHEMBL6504834 0.91 KDM4E (0.83) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL30774379 0.86 KDM4E (0.76) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL714108 0.86 KDM4E (0.76) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL19229659 0.86 KDM4E (0.76) KDM5CKDM4EKDM4CKDM2AKDM3A
SCHEMBL70700 0.85 KDM4C (0.78) KDM5CKDM4EKDM4CKDM2AKDM3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924171-A Phenanthrone derivative and synthesis method thereof 华南理工大学 2024-04-26 CN claimed
CN-114874127-B Preparation method of difluoro carbonyl indolone compound 中国药科大学 2023-06-09 CN claimed
CN-114874127-A Preparation method of difluorocarbonylation indolone compound 中国药科大学 2022-08-09 CN claimed
CN-113512068-B Double-ligand nitrosyl ruthenium complex and preparation method and application thereof 山西大学 2022-05-31 CN claimed
CN-119948027-A SOS1 protein degradation agent and application thereof 领泰生物医药(绍兴)有限公司 2025-05-06 CN disclosed
CN-115677569-B Synthesis method of pyridines and substituted benzenes based on reduction coupling reaction of iron-catalyzed aryl halide and alkyl halide 重庆大学 2024-05-28 CN disclosed
CN-115141138-B Method for constructing fluoride by decarboxylation of alkyl carboxylic acid 中山大学 2023-11-28 CN disclosed
CN-114832862-B Catalytic composition for coupling reaction and application of catalytic composition in preparation of isoquinoline-1, 3-dione compounds 中国药科大学 2023-06-30 CN disclosed
CN-114874127-B Preparation method of difluoro carbonyl indolone compound 中国药科大学 2023-06-09 CN disclosed
CN-115677569-A Pyridine and substituted benzene compound synthesis method based on iron-catalyzed reduction coupling reaction of aryl halide and alkyl halide 重庆大学 2023-02-03 CN disclosed
CN-115141138-A Method for constructing fluoride by decarboxylation of alkyl carboxylic acid 中山大学 2022-10-04 CN disclosed
CN-113512068-B Double-ligand nitrosyl ruthenium complex and preparation method and application thereof 山西大学 2022-05-31 CN disclosed
CN-113512068-B Double-ligand nitrosyl ruthenium complex and preparation method and application thereof 山西大学 2022-05-31 CN disclosed