SCHEMBL8574473

SCHEMBL8574473

O=C1c2cc([N+](=O)[O-])ccc2N(c2ccccc2)CN1CCCOC1SC(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
CASP3 P42574 1/20 0.44
CASP4 P49662 1/20 0.44
CASP7 P55210 1/20 0.44
CASP9 P55211 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
ACHE P22303 3/20 0.38
KDM1A O60341 1/20 0.36
RAB9A P51151 1/20 0.35
APP P05067 2/20 0.34
MAPT P10636 2/20 0.34
SNCA P37840 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 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
SCHEMBL8572953 0.95 CASP1 (0.46) CASP1CASP3CASP4CASP7CASP9
SCHEMBL8573630 0.88 ALDH1A1 (0.40) MAPTALDH1A1HTT
SCHEMBL8576804 0.87 ALDH1A1 (0.38) ACHEMAPTALDH1A1LMNA
SCHEMBL8578867 0.84 CTRB1 (0.36) MAPTALDH1A1HPGDLMNA
SCHEMBL8574470 0.83 CASP1 (0.41) CASP1CASP3CASP4CASP7CASP9
SCHEMBL8574464 0.83 ACHE (0.36) ACHEMAPTALDH1A1
SCHEMBL8575403 0.83 ALDH1A1 (0.41) MAPTALDH1A1HTTLMNA
SCHEMBL8578845 0.83 CASP1 (0.41) CASP1CASP3CASP4CASP7CASP9
SCHEMBL8577585 0.82 MAPT (0.37) ACHEMAPTALDH1A1LMNA
SCHEMBL8573201 0.81 POLB (0.37) ACHEMAPTALDH1A1

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
US-5710152-A ANTIDIABETIC, ANTILIPEMIC, AND HYPOGLYCEMIC AGENTS; DIETETICS SS PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed