SCHEMBL3300557

SCHEMBL3300557

CC(C)(C)c1c(N)cc(C#N)cc1N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
TTR P02766 2/20 0.37
ALB P02768 2/20 0.37
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
CYP2A6 P11509 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
VCAM1 P19320 1/20 0.30

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
SCHEMBL11234376 0.79 TTR (0.32) TTRALBALDH1A1KDM4EGAA
SCHEMBL11232816 0.79 CYP2A6 (0.32) TTRALBALDH1A1KDM4EGAA
SCHEMBL11234371 0.77 CNR1 (0.32) TTRALBCYP2A6
SCHEMBL12367051 0.74 KIF11 (0.39) KIF11TTRALBALDH1A1MEN1
SCHEMBL7742105 0.73 TTR (0.41) TTRALBALDH1A1KDM4EGAA
SCHEMBL8225426 0.73 KIF11 (0.38) KIF11TTRALBALDH1A1KDM4E
SCHEMBL13525489 0.73 KIF11 (0.38) KIF11TTRALBALDH1A1MEN1
SCHEMBL8128718 0.72 KIF11 (0.42) KIF11ALDH1A1KDM4EGAACYP2A6
SCHEMBL23827139 0.71 KIF11 (0.39) KIF11ALDH1A1KDM4EGAAMEN1
SCHEMBL31336509 0.71 KIF11 (0.39) KIF11ALDH1A1KDM4EGAAMEN1

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-4222955-A CURING AGENT FOR POLYURETHANES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-09-16 US claimed
US-20100093880-A1 RECYCLING CLEAVAGE OF POLYURETHANES PUREC GMBH (DE) 2010-04-15 US disclosed
EP-2046879-A1 REDISSOCIATION OF POLYURETHANES Purec Gmbh (DE) 2009-04-15 EP disclosed
WO-2008014988-A1 REDISSOCIATION OF POLYURETHANES PUREC GMBH (DE) 2008-02-07 WO disclosed
US-4365051-A CURING AGENTS, CHAIN EXTENSION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-12-21 US disclosed
US-4254272-A PHENYL OR CYCLOHEXYL ESTER OF 3,5-DIAMINO-4-TERT-BUTYL-BENZOIC ACID THE GOODYEAR TIRE & RUBBER COMPANY (US) 1981-03-03 US disclosed
US-4222955-A CURING AGENT FOR POLYURETHANES THE GOODYEAR TIRE & RUBBER COMPANY (US) 1980-09-16 US disclosed