SCHEMBL30705602

SCHEMBL30705602

COC(=O)c1cc2c([nH]c1=O)CCOC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
WNT3A P56704 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.36
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL17678623 0.82 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL31376407 0.81 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10HTT
SCHEMBL17780994 0.81 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL18044712 0.81 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL2746509 0.80 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL9310363 0.77 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL26086700 0.76 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL20939530 0.74 TNKS2 (0.38) KDM4EALDH1A1HPGDHSD17B10WNT3A
SCHEMBL30705661 0.74 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL30705523 0.73 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10GAA

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