SCHEMBL9702779

SCHEMBL9702779

NC(=O)c1ccc2cc(Nc3ccc(O)cc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.56
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
PLAU P00749 7/20 0.50
DEGS1 O15121 1/20 0.50
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
KLKB1 P03952 1/20 0.48
PRSS1 P07477 1/20 0.48
PARP10 Q53GL7 1/20 0.47
AURKA O14965 1/20 0.47
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
F12 P00748 1/20 0.43

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
SCHEMBL9702772 0.85 DEGS1 (0.51) DEGS1ALDH1A1CYP3A4THRBHPGD
SCHEMBL31187400 0.82 PLAU (0.60) LCKSIRT2SIRT1SIRT3PLAU
SCHEMBL29199052 0.81 SIRT2 (0.68) SIRT2SIRT1SIRT3PLAUDEGS1
SCHEMBL30514033 0.81 PARP1 (0.56) LCKPARP10CYP3A4PARP1
SCHEMBL28707902 0.80 LCK (0.70) LCKPLAUF2PLGKLKB1
SCHEMBL1808865 0.80 LCK (0.70) LCKPLAUF2PLGKLKB1
SCHEMBL9702097 0.78 CYP3A4 (0.54) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL2363489 0.78 LCK (0.78) LCKPLAUF2PLGKLKB1
SCHEMBL10419897 0.75 ALDH1A1 (0.53) ALDH1A1CYP3A4THRBALOX15RECQL
SCHEMBL28013896 0.75 PLAU (0.68) PLAUDEGS1F2PLGKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0221677-B1 P-AMINOPHENOLS, DERIVATIVES THEREOF AND USE FOR MANUFACTURE OF A MEDICAMENT E.R. Squibb & Sons, Inc. (US) 1992-09-09 EP disclosed
US-4910208-A Skin disorders, antiinflammatory agent E. R. SQUIBB & SONS, INC. (US) 1990-03-20 US disclosed
US-4814454-A ANTIALLERGENS, ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1989-03-21 US disclosed
EP-0221677-A2 p-Aminophenols, derivatives thereof and use for manufacture of a medicament E.R. Squibb & Sons, Inc. (US) 1987-05-13 EP disclosed