SCHEMBL11294652

SCHEMBL11294652

COc1ccc(C(=O)c2cc(Sc3ccccc3)cc([N+](=O)[O-])c2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ MAPT P10636 9/20 0.48
▸ LMNA P02545 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ PAX8 Q06710 2/20 0.48
▸ RAF1 P04049 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ GAA P10253 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HTT P42858 4/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ PDE4A P27815 1/20 0.44

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
SCHEMBL11288436 0.81 ALDH1A1 (0.48) MAPK1ALDH1A1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL11296463 0.81 ALDH1A1 (0.47) MAPK1ALDH1A1KMT2AMEN1MAPT
SCHEMBL11292317 0.79 MAPT (0.61) MAPK1ALDH1A1KMT2AMEN1MAPT
SCHEMBL11285908 0.77 HPGD (0.55) MAPK1ALDH1A1KMT2AMEN1MAPT
SCHEMBL8088214 0.75 SMN1; SMN2 (0.71) MAPK1ALDH1A1KMT2AMEN1MAPT
SCHEMBL6482376 0.75 ALDH1A1 (0.58) MAPK1ALDH1A1KMT2AMEN1MAPT
SCHEMBL28499327 0.73 ALDH1A1 (0.62) MAPK1ALDH1A1KMT2AMEN1MAPT
SCHEMBL12757105 0.72 CES2 (0.62) MAPK1ALDH1A1KMT2AMEN1MAPT
SCHEMBL29870046 0.72 CES2 (0.62) MAPK1ALDH1A1KMT2AMEN1MAPT
Oxybenzone SCHEMBL10785651 0.72 MAPK1 (0.68) MAPK1ALDH1A1KMT2AMEN1MAPT

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-0065874-A1 2-Aminophenol derivatives, methods for their preparation and composition containing the same ONO PHARMACEUTICAL CO., LTD. (JP) 1982-12-01 — — EP disclosed
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