SCHEMBL11582014

SCHEMBL11582014

Cn1cc(C(=O)O)c(=O)c2cc(Cl)sc21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL11580735 0.83 LMNA (0.38) KCNH2KMT2ALMNA
SCHEMBL11581691 0.82 KDM4E (0.41) DAOKMT2ALMNA
SCHEMBL11580707 0.82 LMNA (0.38) KCNH2LMNA
SCHEMBL11557666 0.82 LMNA (0.38) KCNH2LMNA
SCHEMBL11554330 0.81 KDM4E (0.48) DAOKMT2ALMNA
SCHEMBL11579923 0.81 DAO (0.39) DAOKMT2ALMNA
SCHEMBL9836136 0.76 DAO (0.42) DAOKMT2ALMNA
SCHEMBL11580726 0.72 KMT2A (0.42) KMT2ALMNA
SCHEMBL6664480 0.72 LMNA (0.53) KMT2ALMNA
SCHEMBL7479214 0.72 KCNH2 (0.65) KCNH2LMNA

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
US-3951989-A Thienopyridine-carboxylic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-04-20 US claimed
US-4079060-A Thienopyridine-carboxylic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1978-03-14 US disclosed
US-3997545-A Thienopyridine-carboxylic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-12-14 US disclosed
US-3951989-A Thienopyridine-carboxylic acid derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1976-04-20 US disclosed