SCHEMBL18395940

SCHEMBL18395940

COc1ccc2cc(O)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.57
▸ MEN1 O00255 8/20 0.57
▸ KMT2A Q03164 8/20 0.57
▸ LMNA P02545 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ POLB P06746 3/20 0.57
▸ TNF P01375 2/20 0.57
▸ NOD1 Q9Y239 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ POLA1 P09884 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ MAPK1 P28482 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.55
▸ PLG P00747 1/20 0.54
▸ PLAU P00749 1/20 0.54
▸ PLAT P00750 1/20 0.54
▸ PKM P14618 2/20 0.54
▸ HSP90AA1 P07900 1/20 0.54

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
SCHEMBL5341861 0.84 MEN1 (0.71) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL1337652 0.78 MAPT (0.77) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL18396041 0.78 MEN1 (0.65) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL1337428 0.77 MEN1 (0.76) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL6763519 0.76 MEN1 (0.70) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL28342284 0.75 KMT2A (0.87) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL31254103 0.75 KMT2A (0.87) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL26758017 0.75 ALDH1A1 (0.67) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL4254145 0.75 MEN1 (0.80) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL1337560 0.75 KCNK3 (0.72) MAPTMEN1KMT2ALMNARAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3121643-B1 OPHTHALMIC LENS MENICON CO LTD (JP) 2020-07-22 — — EP disclosed
EP-3121643-A1 OPHTHALMIC LENS Menicon Co., Ltd. (JP) 2017-01-25 — — EP disclosed
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