SCHEMBL7439359

SCHEMBL7439359

O=POCC(Cc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.50
▸ GAA P10253 1/20 0.50
▸ POLB P06746 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HSD11B1 P28845 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ AADAT Q8N5Z0 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL1239675 0.78 TDP1 (0.62) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL1239670 0.78 TDP1 (0.62) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL16716192 0.76 TDP1 (0.60) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL1237353 0.76 ALDH1A1 (0.61) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL1237351 0.76 ALDH1A1 (0.61) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL3444977 0.76 ALDH1A1 (0.61) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL13108155 0.75 TDP1 (0.48) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL22649440 0.74 ALDH1A1 (0.62) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL11463490 0.74 ALDH1A1 (0.62) TDP1ALDH1A1GAAPOLBL3MBTL1
SCHEMBL11480552 0.72 ALDH1A1 (0.61) TDP1ALDH1A1GAAPOLBL3MBTL1

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-0120728-A1 Thiazine and thiazepine containing compounds E.R. Squibb & Sons, Inc. (US) 1984-10-03 — — EP disclosed
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