SCHEMBL1444740

SCHEMBL1444740

COc1ccccc1N=Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ L3MBTL1 Q9Y468 3/20 0.58
▸ CES2 O00748 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ PLAU P00749 1/20 0.47
▸ CCNT1 O60563 1/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CCNE2 O96020 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ CCNE1 P24864 1/20 0.47

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
SCHEMBL1444737 1.00 ALDH1A1 (0.66) ALDH1A1TDP1L3MBTL1CES2ACHE
SCHEMBL11356765 0.81 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1CES2ACHE
2-Nitroanisole SCHEMBL29434934 0.80 ALDH1A1 (1.00) ALDH1A1TDP1L3MBTL1NPC1RAB9A
1,2-Dimethoxybenzene SCHEMBL27460764 0.80 ALDH1A1 (0.84) ALDH1A1TDP1L3MBTL1NPC1RAB9A
2-Nitroanisole SCHEMBL20328416 0.80 ALDH1A1 (1.00) ALDH1A1TDP1L3MBTL1NPC1RAB9A
2-Nitroanisole SCHEMBL186551 0.80 ALDH1A1 (1.00) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL1405477 0.80 CA1 (0.60) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL1405475 0.80 CA1 (0.60) ALDH1A1TDP1L3MBTL1NPC1RAB9A
SCHEMBL29040523 0.80 KMT2A (0.50) ALDH1A1TDP1L3MBTL1CES2ACHE
SCHEMBL4283506 0.80 KMT2A (0.54) ALDH1A1TDP1L3MBTL1NPC1RAB9A

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-2406794-A1 OPTICAL POWER LIMITING POLYMERIC MATRIX Oxazogen, Inc. (US) 2012-01-18 — — EP disclosed
WO-2011037619-A1 POLYMERIC DYE FOR OPTICAL POWER LIMITING OXAZOGEN, INC. (US) 2011-03-31 — — WO disclosed
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