SCHEMBL5229175

SCHEMBL5229175

CC(=O)c1csc(N2CCCNCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BAZ2A Q9UIF9 5/20 0.48
CHEK1 O14757 11/20 0.45
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
AOC3 Q16853 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5233343 0.85 OGA (0.47) BAZ2ACHEK1HDAC3HDAC2AOC3
SCHEMBL10429396 0.81 CHEK1 (0.49) BAZ2ACHEK1HDAC3HDAC2AOC3
Hydrochloric Acid SCHEMBL2583821 0.80 CHEK1 (0.48) BAZ2ACHEK1HDAC3HDAC2AOC3
SCHEMBL15348920 0.79 CRBN (0.55) BAZ2ACHEK1HDAC3HDAC2AOC3
SCHEMBL9794803 0.78 BAZ2A (0.48) BAZ2AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL6707393 0.78 CRBN (0.54) BAZ2ACHEK1HDAC3HDAC2AOC3
SCHEMBL18619678 0.77 LMNA (0.55) LMNAL3MBTL1
SCHEMBL5378395 0.76 OGA (0.53) BAZ2ACHEK1MEN1ALDH1A1LMNA
SCHEMBL16836629 0.75 LMNA (0.47) BAZ2AAOC3LMNA
Hydrochloric Acid SCHEMBL2584196 0.75 MAPT (0.53) BAZ2ACHEK1MEN1ALDH1A1LMNA

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-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed