SCHEMBL11512494

SCHEMBL11512494

N#CCC(=C(C#N)C#N)C(C#N)(C#N)C#N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9296259 0.67 ALDH1A1 (0.32)
SCHEMBL11366819 0.61 KDM4E (0.50) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL1003872 0.60 KDM4E (1.00) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL30600046 0.58 KDM4E (0.94) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL26645958 0.58 KDM4E (0.94) KDM4EMEN1LMNAMAPTKMT2A
SCHEMBL28654966 0.58
SCHEMBL1996348 0.58
SCHEMBL3671209 0.56
SCHEMBL10535995 0.56
SCHEMBL503976 0.56 MCL1 (0.40) KDM4EMEN1LMNAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4168244-A CONJUGATED DIOLEFINS TO HIGH MOLECULAR WEIGHT STEREOREGULAR POLYMERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-09-18 US claimed
US-4048418-A Method of polymerization of conjugated diolefins using iron catalysts and nitrogen ligands THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-09-13 US claimed
US-4168244-A CONJUGATED DIOLEFINS TO HIGH MOLECULAR WEIGHT STEREOREGULAR POLYMERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1979-09-18 US disclosed
US-4048418-A Method of polymerization of conjugated diolefins using iron catalysts and nitrogen ligands THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-09-13 US disclosed