SCHEMBL11664740

SCHEMBL11664740

CCCn1cc(C(=O)O)c(=O)c2ccsc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
ABCC4 O15439 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 1/20 0.42
DRD3 P35462 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL11578139 0.92 CNR2 (0.45) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL11579822 0.91 CNR2 (0.50) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL11579496 0.90 CNR2 (0.49) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL11557695 0.89 LMNA (0.52) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL11579929 0.82 LMNA (0.40) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL11580726 0.81 KMT2A (0.42) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL10671020 0.80 LMNA (0.43) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL11578367 0.77 LMNA (0.43) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL11581691 0.76 KDM4E (0.41) LMNAMEN1ABCC4PKMPTGS1
SCHEMBL11579417 0.76 KDM4E (0.41) LMNAMEN1ABCC4PKMPTGS1

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-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