SCHEMBL5720397

SCHEMBL5720397

O=c1n(CCCCCCCBr)c(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 4/20 0.39
▸ GSK3B P49841 4/20 0.39
▸ PGR P06401 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPK8 P45983 2/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ FAAH O00519 5/20 0.34
▸ PDE4A P27815 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL8113694 0.86 MAPT (0.45) GSK3AGSK3BPGRPOLBRECQL
SCHEMBL8111700 0.85 PTGIR (0.49) FAAH
SCHEMBL8103785 0.85 PTGIR (0.49) FAAH
SCHEMBL8104133 0.85 PTGIR (0.49) FAAH
SCHEMBL11124513 0.85 PTGIR (0.49) FAAH
SCHEMBL8114676 0.84 FAAH (0.37) GSK3AGSK3BPGRPOLBRECQL
SCHEMBL8104268 0.83 NPSR1 (0.37) GSK3AGSK3BPGRPOLBRECQL
SCHEMBL5720217 0.83 FABP4 (0.49) POLBRECQLSMN1; SMN2FAAH
SCHEMBL8113753 0.82 TBXAS1 (0.42) GSK3AGSK3BPGRPOLBRECQL
SCHEMBL8113470 0.82 TBXAS1 (0.42) GSK3AGSK3BPGRPOLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841910-A4 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2006-09-13 — — EP disclosed
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 — — EP disclosed
EP-0841910-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-20 — — EP disclosed
US-5663053-A COENZYME A TRANSACYLASE FOR SCREENING SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 — — US disclosed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 — — US disclosed
WO-1997004765-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 — — WO disclosed
EP-0626969-A4 CoA-IT AND PAF INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-04-19 — — EP disclosed
EP-0626969-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-07 — — EP disclosed
US-5338752-A Treatment of cardiovascular disorders SK&F LABORATORIES LTD. (GB) 1994-08-16 — — US disclosed
WO-1993016674-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 — — WO disclosed
EP-0550478-A1 SUBSTITUTED 2 IMIDAZOLONE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 — — EP disclosed
EP-0548168-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-06-30 — — EP disclosed
WO-1992004331-A1 SUBSTITUTED 2 IMIDAZOLONE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-19 — — WO disclosed
WO-1992004332-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-19 — — WO disclosed
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