SCHEMBL6673583

SCHEMBL6673583

CC(=N)c1cccc(C(C)=N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.35
GAA P10253 2/20 0.33
P2RX7 Q99572 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28244305 0.89 KDM4E (0.48) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL21286483 0.89 KDM4E (0.38) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL13274037 0.85 P2RX7 (0.50) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL23226820 0.84 NOS2 (0.46) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL21264073 0.84 GRM5 (0.44) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL15493831 0.80 CCR1 (0.39) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL18970452 0.79 CYP1A2 (0.33) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL455687 0.72 KDM4E (0.59) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL13793158 0.72 KDM4E (0.46) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL17866588 0.72 KDM4E (0.46) KDM4ETDP1ALOX15TSHRACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951489-B1 POLYMERIZATION OF PROPYLENE DU PONT (US) 2004-10-06 EP disclosed
US-20040097366-A1 Polyolefin-based composite resin, method for production thereof, catalyst for polymerization of vinly compound and method for polymerization of vinly compound using the same IDEMITSU KOSAN CO. LTD. (JP) 2004-05-20 US disclosed
EP-0946609-B1 POLYMERIZATION OF ETHYLENE WITH SPECIFIC IRON OR COBALT COMPLEXES, NOVEL PYRIDINEBIS(IMINES) AND NOVEL COMPLEXES OF PYRIDINEBIS(IMINES) WITH IRON AND COBALT DU PONT (US) 2002-02-27 EP disclosed
EP-1136122-A1 TRANSITION METAL CATALYSTS AND PROCESSES FOR PRODUCING $g(a)-OLEFIN AND VINYL COMPOUND POLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-09-26 EP disclosed
EP-1127897-A2 Catalyst composition comprising specific iron or cobalt complexes and process for the oligomerization or polymerization of ethylene therewith E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-08-29 EP disclosed
EP-1106249-A1 CATALYST FOR $g(a)-OLEFIN PRODUCTION AND PROCESS FOR PRODUCING $g(a)-OLEFIN IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-06-13 EP disclosed
US-6150482-A COORDINATION CATALYSTS FOR POLYMERIZATION CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-11-21 US disclosed
US-5955555-A CATALYTIC POLYMERIZATION OF ETHYLENE IN PRESENCE OF AN IRON OR COBALT COMPLEXES OF SELECTED 2,6-PYRIDINECARBOXALDEHYDEBIS(IMINES) AND 2,6-DIACYLPYRIDINEBIS(IMINES); USE AS MOLDING MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-21 US disclosed