SCHEMBL8722305

SCHEMBL8722305

NC(=O)c1ccc(CCN2CCOCC2)c(N)c1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
PARP2 Q9UGN5 2/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 4/20 0.40
KMT2A Q03164 4/20 0.40
CD274 Q9NZQ7 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 2/20 0.38
MPI P34949 1/20 0.38
CYP2C19 P33261 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
SCHEMBL10426714 0.89 KMT2A (0.43) ALDH1A1KDM4EMAPTKMT2ACD274
SCHEMBL18108811 0.88 PARP1 (0.53) PARP1PARP2ALDH1A1KDM4EMAPT
SCHEMBL2463886 0.84 PARP1 (0.46) PARP1PARP2ALDH1A1KDM4EMAPT
SCHEMBL9760982 0.82 PARP1 (0.44) PARP1PARP2ALDH1A1KDM4EMAPT
SCHEMBL10425888 0.81 POLB (0.48) ALDH1A1KDM4EMAPTKMT2AOPRM1
SCHEMBL3373579 0.81 PARP1 (0.50) PARP1PARP2ALDH1A1KDM4EMAPT
SCHEMBL487963 0.80 ALDH1A1 (0.56) PARP1PARP2ALDH1A1KDM4EMAPT
SCHEMBL8722296 0.80 PARP1 (0.44) PARP1PARP2ALDH1A1KDM4EMAPT
SCHEMBL10607328 0.78 KMT2A (0.49) ALDH1A1KDM4EMAPTKMT2ACD274
SCHEMBL7527733 0.77 PARP1 (0.53) PARP1PARP2ALDH1A1KDM4EMAPT

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