SCHEMBL8576804

SCHEMBL8576804

Cc1ccc2c(c1)C(=O)N(CCCOC1SC(=O)N(Cc3ccccc3)C1=O)CN2c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
MAPT P10636 8/20 0.38
KMT2A Q03164 5/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 3/20 0.36
POLB P06746 5/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
GAA P10253 2/20 0.32
THRB P10828 1/20 0.32
ACHE P22303 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL8577585 0.95 MAPT (0.37) ALDH1A1MAPTKMT2AL3MBTL1TP53
SCHEMBL8573630 0.91 ALDH1A1 (0.40) ALDH1A1MAPTKMT2ATP53POLB
SCHEMBL8578867 0.87 CTRB1 (0.36) ALDH1A1MAPTKMT2AL3MBTL1TP53
SCHEMBL8574473 0.87 CASP1 (0.44) ALDH1A1MAPTLMNAACHE
SCHEMBL8575403 0.85 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ATP53POLB
SCHEMBL8579010 0.85 POLB (0.34) ALDH1A1MAPTL3MBTL1TP53POLB
SCHEMBL8574464 0.85 ACHE (0.36) ALDH1A1MAPTL3MBTL1TP53POLB
SCHEMBL8573201 0.84 POLB (0.37) ALDH1A1MAPTTP53POLBGAA
SCHEMBL8576883 0.83 XIAP (0.36) ALDH1A1MAPTGAATHRB
SCHEMBL8572909 0.83 ADRA1D (0.35) ALDH1A1MAPTPOLBKDM4EGAA

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