SCHEMBL11021116

SCHEMBL11021116

CCOC(=O)CCN(c1ccc(F)cc1)c1nc(SC)ncc1C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ ALDH1A1 P00352 5/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SYK P43405 2/20 0.44
▸ MAPT P10636 6/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ FOS P01100 2/20 0.41
▸ JUN P05412 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ TP53 P04637 1/20 0.39

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
SCHEMBL11015988 0.91 ALDH1A1 (0.47) HTTMAPK1NPSR1ALDH1A1TDP1
SCHEMBL11020556 0.90 ALDH1A1 (0.55) HTTMAPK1NPSR1ALDH1A1TDP1
SCHEMBL3294463 0.83 MEN1 (0.45) HTTMAPK1NPSR1ALDH1A1TDP1
SCHEMBL9955978 0.81 MEN1 (0.51) HTTMAPK1NPSR1ALDH1A1TDP1
SCHEMBL16446231 0.78 RAB9A (0.46) HTTMAPK1NPSR1ALDH1A1TDP1
SCHEMBL3528024 0.77 ALDH1A1 (0.53) HTTMAPK1NPSR1ALDH1A1TDP1
SCHEMBL3532279 0.77 ALDH1A1 (0.56) HTTMAPK1NPSR1ALDH1A1TDP1
SCHEMBL3531655 0.75 MEN1 (0.50) HTTMAPK1NPSR1ALDH1A1TDP1
SCHEMBL3291033 0.74 MEN1 (0.49) HTTMAPK1ALDH1A1TDP1POLB
SCHEMBL14874673 0.74 MAPK1 (0.56) HTTMAPK1NPSR1ALDH1A1TDP1

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-0153580-A1 Naphthyridine antibacterial compounds ABBOTT LABORATORIES (US) 1985-09-04 — — EP disclosed
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