SCHEMBL9869316

SCHEMBL9869316

COCOc1c(-c2ccccc2)sc2c(C(O)c3ccccc3)nccc12

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ACHE P22303 2/20 0.31
KDM4E B2RXH2 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30

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
SCHEMBL9869699 0.83 LMNA (0.41) LMNAACHEKDM4ENCOA3
SCHEMBL9870815 0.78 LMNA (0.48) LMNAKDM4ENCOA3
SCHEMBL9869324 0.74 HSPA5 (0.31)
SCHEMBL9869471 0.70 BRAF (0.37) KDM4ENCOA3
SCHEMBL9869116 0.70 KDM4E (0.43) LMNAKDM4E
SCHEMBL23457402 0.60 ACHE (0.76) LMNAACHEKDM4E
SCHEMBL14463771 0.59 LMNA (1.00) LMNAACHENCOA3
SCHEMBL6375181 0.58 BRD4 (0.46) LMNAACHEKDM4E
SCHEMBL6200136 0.58 LMNA (0.47) LMNAKDM4E
SCHEMBL6200254 0.57 LMNA (0.57) LMNAKDM4ENCOA3

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
US-5006532-A Enzyme inhibitor; antiinflammatory agents MERCK & CO. INC., INC. (US) 1991-04-09 US disclosed
US-4904672-A Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1990-02-27 US disclosed
US-4767766-A Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors MERCK & CO., INC. (US) 1988-08-30 US disclosed