SCHEMBL8726537

SCHEMBL8726537

COc1ccc(N2C(=O)NC(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
TSHR P16473 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
MMP1 P03956 1/20 0.51
MMP3 P08254 1/20 0.51
MMP9 P14780 1/20 0.51
CES2 O00748 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 2/20 0.49
HSD17B10 Q99714 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
LMNA P02545 1/20 0.47
NR1H3 Q13133 1/20 0.47
TAS2R8 Q9NYW2 2/20 0.46

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
SCHEMBL13879473 0.87 NR1H3 (0.51) MEN1TSHRKMT2AALDH1A1GAA
SCHEMBL13879582 0.87 GAA (0.56) MEN1TSHRKMT2AALDH1A1GAA
SCHEMBL13879453 0.87 ALDH1A1 (0.47) MEN1TSHRKMT2AALDH1A1CYP3A4
SCHEMBL13879434 0.86 NPSR1 (0.46) MEN1TSHRKMT2AALDH1A1GAA
SCHEMBL11398860 0.85 GAA (0.74) ALDH1A1GAACYP1A2CYP3A4CYP2C19
SCHEMBL8819321 0.85 ALDH1A1 (0.78) MEN1KMT2AALDH1A1GAACYP1A2
SCHEMBL8726559 0.78 NPSR1 (0.48) MEN1TSHRKMT2AALDH1A1GAA
SCHEMBL13879523 0.78 NPSR1 (0.80) MEN1KMT2AALDH1A1GAACYP3A4
SCHEMBL8726538 0.78 LARS1 (0.54) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL10741921 0.77 GAA (0.56) ALDH1A1GAACYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5766556-A SUITABLE ENVIRONMENT FOR SIMULTANEOUS SYNTHESIS OF ORGANIC COMPOUNDS, INORGANIC COMPOUNDS AND ORGANOMETALLIC COMPOUNDS WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
US-5714127-A RESERVOIR RACKS WITH REACTION WELLS; GAS DISPERSION TUBES CONTAINING FILTERS; HOLDER BLOCK WITH APERTURES; MANIFOLD WARNER-LAMBERT COMPANY (US) 1998-02-03 US disclosed
US-5702672-A REACTION TUBE COMPRISING GAS DISPERSION TUBE HAVING GROUNG GLASS JOINT SECTION WARNER-LAMBERT COMPANY (US) 1997-12-30 US disclosed
US-5612002-A SYNTHESIS OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-03-18 US disclosed
US-5593642-A CONTAINMENT OF SOLID SUPPORT WITHIN A GAS DISPERSION TUBE WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
US-5582801-A HAVING PLURALITY OF REACTION TUBES WITH FILTERS ON LOWER ENDS, RESERVOIR WITH MEANS FOR RECEIVING FILTERS, HOLDER FOR SUPPORTING TUBES, MANIFOLD ENCLOSING UPPER ENDS, FASTENERS HOLDING TOGETHER HOLDER AND MANIFOLD, HOLDER AND RESERVOIR WARNER-LAMBERT COMPANY (US) 1996-12-10 US disclosed
US-5567391-A MULTICOMPARTMENT CHEMICAL REACTORS WARNER-LAMBERT COMPANY (US) 1996-10-22 US disclosed
US-5565173-A USED FOR SOLID-PHASE SYNTHESIS WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed
WO-1996030393-A1 A METHOD FOR THE SYNTHESIS OF MIXTURES OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1996-10-03 WO disclosed
US-5324483-A Apparatus for multiple simultaneous synthesis WARNER-LAMBERT COMPANY (US) 1994-06-28 US disclosed