SCHEMBL10952907

SCHEMBL10952907

COC(=O)c1csc2cc(C)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.51
CHEK1 O14757 1/20 0.47
MET P08581 1/20 0.47
GSK3B P49841 1/20 0.47
LIMK1 P53667 1/20 0.47
DYRK1A Q13627 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
CYP46A1 Q9Y6A2 1/20 0.47
MAPT P10636 7/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 3/20 0.39
CISD2 Q8N5K1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 2/20 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
SCHEMBL1324146 0.84 CA12 (0.53) NR4A2CHEK1METGSK3BLIMK1
SCHEMBL30701731 0.84 CA12 (0.53) NR4A2CHEK1METGSK3BLIMK1
SCHEMBL2811677 0.83 KDM4E (0.49) NR4A2CHEK1METGSK3BLIMK1
Hydrochloric Acid SCHEMBL30701699 0.83 CA12 (0.51) NR4A2CHEK1METGSK3BLIMK1
SCHEMBL497960 0.83 NR4A2 (0.49) NR4A2CHEK1METGSK3BLIMK1
SCHEMBL10953551 0.82 CHEK1 (0.43) NR4A2CHEK1METGSK3BLIMK1
SCHEMBL6130768 0.81 TBXAS1 (0.50) MAPTKMT2AHSD17B10ALDH1A1RECQL
SCHEMBL4058371 0.80 MAPT (0.49) NR4A2CYP46A1MAPTTDP1KMT2A
SCHEMBL17122504 0.79 CFTR (0.55) CHEK1METGSK3BLIMK1DYRK1A
SCHEMBL2811662 0.79 CA12 (0.44) NR4A2CHEK1METGSK3BLIMK1

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-4551468-A INDOLE, BENZOFURANS, BENZOTHIOPHENES PFIZER INC. (US) 1985-11-05 US disclosed
EP-0050957-B1 HETEROCYCLIC THROMBOXANE SYNTHETASE INHIBITORS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pfizer Limited (GB) 1984-08-22 EP disclosed
US-4410539-A Heterocyclic thromboxane synthetase inhibitors and pharmaceutical compositions containing them PFIZER INC. (US) 1983-10-18 US disclosed
EP-0050957-A1 Heterocyclic thromboxane synthetase inhibitors, processes for their preparation, and pharmaceutical compositions containing them Pfizer Limited (GB) 1982-05-05 EP disclosed