SCHEMBL8722300

SCHEMBL8722300

Nc1cccc(C(=O)NCCN2CCOCC2)c1N

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ BCL3 P20749 2/20 0.58
▸ CD274 Q9NZQ7 3/20 0.57
▸ HPGD P15428 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HTR1A P08908 1/20 0.54
▸ MAOA P21397 1/20 0.54
▸ MAOB P27338 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54

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
SCHEMBL7527740 0.82 KMT2A (0.66) MEN1KMT2ABCL3CD274HPGD
SCHEMBL31298077 0.80 KMT2A (0.67) MEN1KMT2ABCL3CD274HPGD
SCHEMBL9760978 0.80 CD274 (0.64) MEN1KMT2ACD274ALDH1A1HTR1A
SCHEMBL9064849 0.80 HTR4 (0.55) MEN1KMT2AHPGD
SCHEMBL31518356 0.80 KMT2A (0.63) MEN1KMT2ABCL3HPGDALDH1A1
SCHEMBL28602004 0.80 POLB (0.60) MEN1KMT2ABCL3
SCHEMBL5795351 0.80 KMT2A (0.63) MEN1KMT2ABCL3HPGDALDH1A1
SCHEMBL13164059 0.79 MEN1 (0.66) MEN1KMT2ABCL3CD274HPGD
SCHEMBL8161181 0.79 BCL3 (0.84) MEN1KMT2ABCL3CD274HPGD
SCHEMBL21347706 0.79 KMT2A (0.66) MEN1KMT2ABCL3CD274HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993005088-A1 CATALYSTS WHICH STABILIZE HYDROHALOCARBON BLOWING AGENT IN POLYURETHANE FOAM FORMULATIONS ALLIED-SIGNAL INC. (US) 1993-03-18 — — WO claimed
US-4937306-A For polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-06-26 — — US claimed
EP-0300366-A1 Non-fugitive aromatic diamine catalytic chain extenders AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-01-25 — — EP claimed
US-5840779-A COMPOSITION COMPRISING POLYISOCYANATE, POLYOL, HYDROFLUOROCARBON BLOWING AGENT, SURFACTANT, POLYAMINE CATALYST; DECREASED DECOMPOSITION OF BLOWING AGENT ALLIEDSIGNAL INC. (US) 1998-11-24 — — US disclosed
US-5688834-A STABLE POLYURETHANE FOAMS ALLIEDSIGNAL, INC. (US) 1997-11-18 — — US disclosed
WO-1993005088-A1 CATALYSTS WHICH STABILIZE HYDROHALOCARBON BLOWING AGENT IN POLYURETHANE FOAM FORMULATIONS ALLIED-SIGNAL INC. (US) 1993-03-18 — — WO disclosed
US-5034426-A Reaction of polyisocyanate, polyol and a chain extender which is also a catalyst because of a tert-amine side chain AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-07-23 — — US disclosed
US-4937306-A For polyurethanes AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-06-26 — — US disclosed
EP-0300366-A1 Non-fugitive aromatic diamine catalytic chain extenders AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-01-25 — — EP disclosed
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