SCHEMBL30848623

SCHEMBL30848623

O=C(O)c1ncccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
MAPK14 Q16539 1/20 0.58
PPIA P62937 6/20 0.56
SGMS2 Q8NHU3 2/20 0.52
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RXRA P19793 3/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 1/20 0.49
HPGD P15428 1/20 0.49
BRD4 O60885 1/20 0.49
ALPG P10696 1/20 0.49
PTK2B Q14289 1/20 0.49

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
SCHEMBL2426791 1.00 LTA4H (0.58) LTA4HMAPK14PPIASGMS2KDM4E
Hydrochloric Acid SCHEMBL10705444 0.98 LTA4H (0.57) LTA4HMAPK14PPIASGMS2KDM4E
SCHEMBL8883647 0.90 ABCB1 (0.50) LTA4HMAPK14PPIASGMS2KDM4E
SCHEMBL8883987 0.89 KMT2A (0.56) LTA4HMAPK14PPIARXRARXRB
SCHEMBL8881484 0.88 HTR1A (0.56) LTA4HMAPK14PPIASGMS2ALDH1A1
SCHEMBL8883136 0.88 PPIA (0.55) LTA4HMAPK14PPIASGMS2RXRA
SCHEMBL8883654 0.88 RXRA (0.50) LTA4HMAPK14PPIAKDM4EALDH1A1
SCHEMBL13380651 0.87 LTA4H (0.55) LTA4HMAPK14PPIASGMS2ALDH1A1
SCHEMBL2840715 0.87 LTA4H (0.59) LTA4HMAPK14PPIASGMS2RXRA
SCHEMBL29836285 0.87 LTA4H (0.55) LTA4HMAPK14PPIASGMS2RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004901-A As WRN helicase inhibitors triazolo cyclic compounds 上海济煜医药科技有限公司 2025-05-16 CN disclosed
WO-2025049746-A1 COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-03-06 WO disclosed
CN-118684684-A Compounds as WRN helicase inhibitors 上海济煜医药科技有限公司 2024-09-24 CN disclosed
WO-2024076155-A1 NOVEL COMPOUND AS YEATS DOMAIN INHIBITOR 노보렉스 주식회사 2024-04-11 WO disclosed