SCHEMBL8809916

SCHEMBL8809916

CC#CCn1cc(CC2NC(=O)SC2=O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ADAM17 P78536 11/20 0.33
LMNA P02545 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
ICMT O60725 1/20 0.31
MEN1 O00255 2/20 0.30
POLB P06746 2/20 0.30
KMT2A Q03164 2/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL8812004 0.86
SCHEMBL8685513 0.81 CYP19A1 (0.47) HDAC1LMNAMEN1POLBKMT2A
SCHEMBL8813439 0.79 HTR6 (0.50) LMNAMEN1POLBKMT2A
SCHEMBL8809908 0.79 MAPT (0.40) ADAM17
SCHEMBL8685510 0.79 HTR6 (0.49) HDAC3LMNAPOLB
SCHEMBL8809547 0.78 ICMT (0.41) HDAC3HDAC1HDAC2NCOR2ICMT
SCHEMBL8811311 0.78 NPC1 (0.50) LMNAMEN1KMT2ATSHR
SCHEMBL8810496 0.78 HTR6 (0.49) LMNA
SCHEMBL8811798 0.78 TP53 (0.46) LMNAMEN1POLBKMT2AUSP2
SCHEMBL8690487 0.77 KMT2A (0.50) MEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed