SCHEMBL8726318

SCHEMBL8726318

COc1ccc(C2=NCC(=O)Nc3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.72
GABRA5 P31644 3/20 0.72
GABRA3 P34903 3/20 0.72
GABRA2 P47869 3/20 0.72
GABRB2 P47870 3/20 0.72
GABRG2 P18507 2/20 0.72
GABRB3 P28472 2/20 0.72
TUBB4A P04350 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58
TUBB3 Q13509 1/20 0.58
TUBB2A Q13885 1/20 0.58
TUBB8 Q3ZCM7 1/20 0.58
TUBA3E Q6PEY2 1/20 0.58
TUBA1A Q71U36 1/20 0.58
TUBA1C Q9BQE3 1/20 0.58
TUBB6 Q9BUF5 1/20 0.58

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
SCHEMBL5349682 0.84 TUBB4A (0.72) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL4709615 0.84 PDE4D (0.67) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-052921 SCHEMBL29979594 0.84 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-052921 SCHEMBL1365706 0.84 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL6627733 0.83 TUBB4A (0.67) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2615411 0.82 GABRA1 (0.78) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11543658 0.82 GABRA1 (0.78) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2615408 0.82 GABRA1 (0.78) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL5038191 0.81 TUBB4A (0.58) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL15704731 0.80 PDE4D (0.64) GABRA1GABRA5GABRA3GABRA2GABRB2

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 12 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
US-5324483-A Apparatus for multiple simultaneous synthesis WARNER-LAMBERT COMPANY (US) 1994-06-28 US disclosed
WO-1994008711-A1 APPARATUS AND METHOD FOR MULTIPLE SIMULTANEOUS SYNTHESIS WARNER-LAMBERT COMPANY (US) 1994-04-28 WO disclosed