SCHEMBL4402096

SCHEMBL4402096

[Fe].c1ccc(N=C2NC(=Nc3ccccn3)c3ccccc32)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ADRA2A P08913 3/20 0.41
ADRA2B P18089 3/20 0.41
ADRA2C P18825 3/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
PLAU P00749 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CCR1 P32246 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
SCHEMBL4402093 1.00 HSD17B10 (0.43) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL31493860 0.98 HSD17B10 (0.44) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL9976117 0.98 HSD17B10 (0.44) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL3968881 0.98 HSD17B10 (0.44) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL3968879 0.98 HSD17B10 (0.44) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL4405615 0.96 HSD17B10 (0.43) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL4405611 0.96 HSD17B10 (0.43) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL26453690 0.86 GSK3B (0.45) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL21715832 0.84 MAPT (0.38) HSD17B10MAPK1TP53ALOX15TSHR
SCHEMBL4074981 0.84 MAPT (0.38) HSD17B10MAPK1TP53ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427759-B1 TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION EQUISTAR CHEM LP (US) 2009-12-23 EP disclosed
US-7473746-B2 LTMC polymerization of unsaturated monomers EQUISTAR CHEMICALS, LP (US) 2009-01-06 US disclosed
EP-1699834-B1 LTMC POLYMERIZATION OF UNSATURATED MONOMERS EQUISTAR CHEM LP (US) 2008-10-29 EP disclosed
EP-1694723-B1 PREPARATION OF OLEFIN-ACRYLIC COPOLYMERS WITH LATE TRANSITION METAL CATALYSTS EQUISTAR CHEM LP (US) 2007-05-02 EP disclosed
US-20050143537-A1 LTMC POLYMERIZATION OF UNSATURATED MONOMERS EQUISTAR CHEMICALS, LP 2005-06-30 US disclosed
US-20050143538-A1 LTMC polymerization of unsaturated monomers EQUISTAR CHEMICALS, LP 2005-06-30 US disclosed
US-6903169-B1 LTMC polymerization of unsaturated monomers EQUISTAR CHEMICALS, LP (US) 2005-06-07 US disclosed
US-6844402-B1 Preparation of olefin-acrylic copolymers with late transition metal catalysts EQUISTAR CHEMICALS, LP (US) 2005-01-18 US disclosed
US-6693154-B2 AN ORGANOMETALLIC COMPLEX CONTAINS A TRANSITION OR LANTHANIDE METAL AND 1,3-BIS(ARYLIMINO)ISOINDOLINE OR 1,3-BIS(HETEROARYLIMINO) ISOINDOLINE; ETHYLENE COPOLYMER WITH HIGH MOLECULAR WEIGHT, BROAD MOLECULAR WEIGHT DISTRIBUTION EQUISTAR CHEMICALS, LP 2004-02-17 US disclosed
US-20030065113-A1 Transition metal catalysts for olefin polymerization EQUISTAR CHEMICALS, LP 2003-04-03 US disclosed