SCHEMBL8103917

SCHEMBL8103917

BrCCCCCCCCn1nnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.43
SLC9A1 P19634 3/20 0.40
CDC7 O00311 2/20 0.39
MAP4K4 O95819 2/20 0.39
PIM1 P11309 2/20 0.39
PRKACA P17612 2/20 0.39
CDK2 P24941 2/20 0.39
GSK3B P49841 2/20 0.39
HIPK2 Q9H2X6 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
PLK4 O00444 1/20 0.38
AURKA O14965 1/20 0.38
MAPK13 O15264 1/20 0.38
DAPK3 O43293 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
CDK1 P06493 1/20 0.38

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
SCHEMBL8104403 0.88 CDC7 (0.37) PTGIRSLC9A1CDC7MAP4K4PIM1
SCHEMBL8103845 0.81 PTGIR (0.66) PTGIRCYP1A2
SCHEMBL8113238 0.81 GLA (0.44) PTGIRSLC9A1CDC7MAP4K4PIM1
SCHEMBL8104175 0.81 PTGIR (0.66) PTGIRCYP1A2
SCHEMBL8113839 0.79 FAAH (0.60) PTGIRKMT2A
SCHEMBL5049522 0.78 SLC9A1 (0.50) SLC9A1MEN1CYP1A2CYP2C9CRHBP
SCHEMBL5049432 0.78 SLC9A1 (0.50) SLC9A1MEN1CYP1A2CYP2C9CRHBP
SCHEMBL9208452 0.78 PTGIR (0.69) PTGIRMAPK1MEN1CYP1A2CYP2C9
SCHEMBL9206431 0.78 PTGIR (0.69) PTGIRMAPK1MEN1CYP1A2CYP2C9
SCHEMBL9208685 0.78 PTGIR (0.69) PTGIRMAPK1MEN1CYP1A2CYP2C9

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
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 EP claimed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 US claimed
EP-0626969-B1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-05-24 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
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
WO-1993016674-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 WO disclosed
EP-0548227-A1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-06-30 EP disclosed
WO-1992004334-A1 COMPOUNDS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-19 WO disclosed