SCHEMBL8575403

SCHEMBL8575403

O=C1c2cc(Cl)ccc2N(c2ccccc2)CN1CCOC1SC(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ALDH2 P05091 2/20 0.41
ALDH3A1 P30838 2/20 0.41
MAPT P10636 3/20 0.40
THRB P10828 3/20 0.40
KDR P35968 1/20 0.36
POLB P06746 1/20 0.34
TP53 P04637 3/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL8573630 0.95 ALDH1A1 (0.40) ALDH1A1ALDH2ALDH3A1MAPTTHRB
SCHEMBL8574464 0.91 ACHE (0.36) ALDH1A1ALDH2ALDH3A1MAPTTHRB
SCHEMBL8577585 0.90 MAPT (0.37) ALDH1A1MAPTTHRBPOLBTP53
SCHEMBL8573201 0.90 POLB (0.37) ALDH1A1ALDH2ALDH3A1MAPTTHRB
SCHEMBL8572909 0.88 ADRA1D (0.35) ALDH1A1MAPTTHRBPOLBGAA
SCHEMBL8579010 0.88 POLB (0.34) ALDH1A1MAPTTHRBPOLBTP53
SCHEMBL8572953 0.88 CASP1 (0.46) ALDH1A1MAPTHTTLMNA
SCHEMBL8575074 0.86 TSHR (0.35) ALDH1A1POLBGAALMNA
SCHEMBL8576804 0.85 ALDH1A1 (0.38) ALDH1A1MAPTTHRBPOLBTP53
SCHEMBL8578867 0.83 CTRB1 (0.36) ALDH1A1MAPTPOLBTP53MEN1

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