SCHEMBL30705462

SCHEMBL30705462

CN[C@@H](Cc1cc2cc(C)ccc2[nH]c1=O)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.55
ALDH1A1 P00352 8/20 0.55
HSD17B10 Q99714 5/20 0.55
HPGD P15428 4/20 0.55
GAA P10253 1/20 0.55
ALOX15 P16050 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
RXFP1 Q9HBX9 3/20 0.48
DAO P14920 1/20 0.48
USP2 O75604 2/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL30705712 0.87 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL30705453 0.84 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL30705488 0.84 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL30705638 0.82 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL30705552 0.82 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDGAA
Hydrochloric Acid SCHEMBL30705464 0.82 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDGAA
Hydrochloric Acid SCHEMBL31475445 0.82 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL30705596 0.80 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL30705718 0.79 KDM4E (0.43) KDM4EALDH1A1HSD17B10HPGDGAA
Hydrochloric Acid SCHEMBL30705568 0.78 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDGAA

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