SCHEMBL30705488

SCHEMBL30705488

Cc1ccc2[nH]c(=O)c(CC(N)C(N)=O)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.57
ALDH1A1 P00352 8/20 0.57
HSD17B10 Q99714 4/20 0.57
HPGD P15428 4/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
DAO P14920 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
USP2 O75604 4/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL30705453 1.00 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL30705464 0.99 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL31475445 0.99 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL30705568 0.88 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL32662539 0.88 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDDAO
SCHEMBL30705462 0.84 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL30705593 0.84 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDMAPT
Hydrochloric Acid SCHEMBL30705538 0.83 TSHR (0.53) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL30705702 0.80 TSHR (0.44) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL30705625 0.78 KDM4E (0.60) KDM4EALDH1A1HSD17B10MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4539844-A2 COMPOUNDS FOR TREATMENT OF A CORONAVIRUS INFECTION Trawsfynydd Therapeutics, Inc. (US) 2025-04-23 EP disclosed
CN-119604290-A Compounds for the treatment of coronavirus infections 特劳斯芬尼德治疗股份有限公司 2025-03-11 CN disclosed
WO-2023245166-A2 COMPOUNDS FOR TREATMENT OF A CORONAVIRUS INFECTION TRAWSFYNYDD THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed