3-Aminophenol

3-Aminophenol

SCHEMBL3946320

Nc1cccc(O)c1.Oc1ccccc1

nearest known ligand 0.85

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 4/20 0.85
TDP1 Q9NUW8 4/20 0.85
CA12 O43570 3/20 0.85
CA2 P00918 3/20 0.85
CA9 Q16790 3/20 0.85
ALDH1A1 P00352 3/20 0.85
CA1 P00915 2/20 0.85
CA7 P43166 1/20 0.85
CA3 P07451 2/20 0.55
GLA P06280 1/20 0.55
CA4 P22748 1/20 0.55
CYP3A4 P08684 4/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CASP1 P29466 2/20 0.52
CA5A P35218 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
RECQL P46063 1/20 0.52
MAOA P21397 4/20 0.52
PBRM1 Q86U86 1/20 0.48

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
3-Aminophenol SCHEMBL9156420 0.93 TDP1 (0.74) CA14TDP1CA12CA2CA9
3-Aminophenol SCHEMBL17727859 0.92 ALDH1A1 (0.90) CA14TDP1CA12CA2CA9
Phenol SCHEMBL10358163 0.92 ALDH1A1 (0.71) CA14TDP1CA12CA2CA9
3-Aminophenol SCHEMBL9774308 0.92 ALDH1A1 (1.00) CA14TDP1CA12CA2CA9
3-Aminophenol SCHEMBL35586 0.92
3-Aminophenol SCHEMBL679715 0.92 ALDH1A1 (1.00) CA14TDP1CA12CA2CA9
3-Aminophenol SCHEMBL29358017 0.92
3-Aminophenol SCHEMBL9161303 0.91 TDP1 (0.71) CA14TDP1CA12CA2CA9
Biphenyl SCHEMBL28051305 0.91 ALDH1A1 (0.77) CA14TDP1CA12CA2CA9
Phenol SCHEMBL28228036 0.90 ALDH1A1 (0.68) CA14TDP1CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101649079-A Application of blend of resorcinol and m-aminophenol derivatives in rubber composition SINO LEGEND ZHANGJIAGANG CHEMI 2010-02-17 CN disclosed
WO-2009022171-A1 PYRIDINYIIOXY PYRIDINES AS ALK5 INHIBITORS ASTRAZENECA AB (SE) 2009-02-19 WO disclosed
US-5099057-A Nitration, hydrolysis and reduction THE DOW CHEMICAL COMPANY (US) 1992-03-24 US disclosed