SCHEMBL11580707

SCHEMBL11580707

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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) LMNAKCNH2ALDH1A1HSD17B10TSHR
SCHEMBL11580748 0.82 KDM4E (0.41) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11582014 0.82 DAO (0.42) LMNAKCNH2
SCHEMBL11557666 0.82 LMNA (0.38) LMNAKCNH2
SCHEMBL7470766 0.81 KDM4E (0.48) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11821334 0.81 BAZ2B (0.48) LMNAMAP2K2MAP2K1KDM4EALDH1A1
SCHEMBL11580726 0.72 KMT2A (0.42) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL7479214 0.72 KCNH2 (0.65) LMNAKCNH2KDM4E
SCHEMBL11580839 0.72 KDM4E (0.38) LMNAMAP2K2MAP2K1KDM4EALDH1A1
SCHEMBL4149665 0.70 LMNA (0.54) LMNAMAP2K2MAP2K1KDM4EALDH1A1

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

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