SCHEMBL8726348

SCHEMBL8726348

CN1C(=O)C(Cc2cc3ccccc3[nH]2)N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LMNA P02545 2/20 0.50
CCKBR P32239 9/20 0.48
CCKAR P32238 3/20 0.45
ADRB2 P07550 1/20 0.45
TSPO P30536 1/20 0.45
GLP1R P43220 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
OPRK1 P41145 2/20 0.41
PDE3A Q14432 1/20 0.41
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
MC3R P41968 1/20 0.40

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
SCHEMBL9436484 0.82 LMNA (0.46) HDAC3HDAC1HDAC6LMNACCKBR
SCHEMBL8726356 0.81 LMNA (0.49) HDAC3HDAC1HDAC6LMNACCKBR
SCHEMBL10163823 0.78 LMNA (0.51) HDAC3HDAC6LMNACCKBRNR1H2
SCHEMBL3783696 0.77 LMNA (0.64) LMNACCKBRNR1H2NR1H3OPRK1
SCHEMBL2929249 0.77 LMNA (0.64) LMNACCKBRNR1H2NR1H3OPRK1
SCHEMBL7091758 0.76 GABRA1 (0.66) HDAC1LMNACCKBRNR1H2NR1H3
SCHEMBL29394022 0.76 OPRK1 (0.68) HDAC3HDAC1HDAC6LMNACCKBR
SCHEMBL4424339 0.76 GABRA1 (0.66) HDAC1LMNACCKBRNR1H2NR1H3
SCHEMBL11389231 0.76 LMNA (0.62) LMNACCKBRNR1H2NR1H3OPRK1
SCHEMBL8722163 0.74 LMNA (0.60) HDAC3HDAC1HDAC6LMNACCKBR

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 11 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
EP-0663856-A1 APPARATUS AND METHOD FOR MULTIPLE SIMULTANEOUS SYNTHESIS WARNER-LAMBERT COMPANY (US) 1995-07-26 EP disclosed
WO-1994008711-A1 APPARATUS AND METHOD FOR MULTIPLE SIMULTANEOUS SYNTHESIS WARNER-LAMBERT COMPANY (US) 1994-04-28 WO disclosed