SCHEMBL9807619

SCHEMBL9807619

CC(NC(=O)C(C)(C)/N=N/C(C)(C)C(=O)NC(C)N1CCCCC1)N1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.31
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSK P43235 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL9331350 0.83 CHRM5 (0.38) SIGMAR1
SCHEMBL7956648 0.75 SIGMAR1 (0.37) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL7956652 0.75 SIGMAR1 (0.37) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL29286947 0.72 CTSK (0.47) HPGDCTSLCTSBCTSK
SCHEMBL17141355 0.71 ATM (0.39) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL17141389 0.71 ATM (0.39) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8624859 0.70 CTSK (0.48) KMT2ACTSLCTSBCTSK
SCHEMBL10592724 0.70 CTSK (0.48) KMT2ACTSLCTSBCTSK
SCHEMBL1683540 0.69 POLB (0.31)
SCHEMBL22847868 0.66 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AHPGD

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-5001228-A Bis-alkylamide azo polymerization initiators WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1991-03-19 US disclosed