SCHEMBL7448223

SCHEMBL7448223

CC(O)Oc1ccc(C2=NCCO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ LTA4H P09960 1/20 0.44
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ ACKR3 P25106 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ USP9X Q93008 1/20 0.34
▸ LSS P48449 1/20 0.34

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
SCHEMBL2425517 0.79 KCNH2 (0.39) KCNH2HRH3LTA4HUSP9XLSS
SCHEMBL13517962 0.78 KCNH2 (0.50) KCNH2HRH3LTA4HMEN1KMT2A
SCHEMBL11782167 0.78 LTA4H (0.62) KCNH2HRH3LTA4HMEN1KMT2A
SCHEMBL132013 0.77 KCNH2 (0.49) KCNH2HRH3LTA4HUSP9XLSS
SCHEMBL9862830 0.76 KCNH2 (0.41) KCNH2HRH3LTA4HMEN1KMT2A
SCHEMBL15976794 0.75 KCNH2 (0.50) KCNH2HRH3LTA4HMEN1KMT2A
SCHEMBL23576315 0.74 KCNH2 (0.47) KCNH2HRH3LTA4HACKR3LSS
SCHEMBL28789319 0.74 LTA4H (0.56) KCNH2HRH3LTA4HMEN1KMT2A
SCHEMBL7448226 0.73 KCNH2 (0.63) KCNH2HRH3LTA4HACKR3
SCHEMBL28789394 0.73 LTA4H (0.54) KCNH2HRH3LTA4HMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6433116-B1 — — None — — US disclosed
US-6433116-B2 CROSSLINKING; COATINGS, INKS, VARNISHES, SURFACE TREATMENT S. C. JOHNSON COMMERCIAL MARKETS, INC. 2002-08-13 — — US disclosed
EP-0472560-B1 CYCLIC POLYIMINOETHERS HENKEL KGAA (DE) 1996-07-10 — — EP disclosed
WO-1996016999-A1 OXAZOLINE-TERMINATED POLYURETHANES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1996-06-06 — — WO disclosed
US-5196544-A CYCLIC OLIGOIMINOETHERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1993-03-23 — — US disclosed
EP-0472560-A1 NEW CYCLIC POLYIMINOETHERS. HENKEL KGAA (DE) 1992-03-04 — — EP disclosed
WO-1990014341-A1 NEW CYCLIC POLYIMINOETHERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-11-29 — — WO disclosed
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