SCHEMBL78889

SCHEMBL78889

CC1=C(c2cc(C)ccc2N)C(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP10 Q53GL7 2/20 0.37
PARP1 P09874 1/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.35
ELANE P08246 1/20 0.35
TYMS P04818 1/20 0.35
HSD17B10 Q99714 3/20 0.34
KDM4E B2RXH2 2/20 0.34
METAP1 P53582 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL77529 0.83 ALDH1A1 (0.37) PARP10PARP1MAOBALDH1A1TYMS
SCHEMBL79135 0.79 BRD4 (0.43) TDP1CYP3A4PARP1MAOBMAOA
SCHEMBL78707 0.73 MAPK14 (0.36) PARP10PARP1MAOBALDH1A1HSD17B10
SCHEMBL30092409 0.72 TDP1 (0.65) TDP1CYP3A4ALOX15TP53THRB
SCHEMBL18131295 0.72 TDP1 (0.65) TDP1CYP3A4ALOX15TP53THRB
SCHEMBL29900990 0.72 TDP1 (0.65) TDP1CYP3A4ALOX15TP53THRB
Hydrochloric Acid SCHEMBL29900992 0.70 TDP1 (0.62) TDP1CYP3A4ALOX15TP53THRB
SCHEMBL11304327 0.70 CYP2D6 (0.47) TDP1ALOX15ALDH1A1HSD17B10ACHE
SCHEMBL77967 0.69 LMNA (0.51) TDP1CYP3A4ALDH1A1LMNACA1
SCHEMBL8733733 0.69 MAOB (0.52) SMN1; SMN2PARP10PARP1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129488-B2 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2012-03-06 US disclosed
US-20090209712-A1 TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, AND OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS LG CHEM., LTD. (KR) 2009-08-20 US disclosed
US-7538239-B2 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2009-05-26 US disclosed
WO-2007007992-A1 TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, AND OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS LG CHEM, LTD. (KR) 2007-01-18 WO disclosed
US-20070010637-A1 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2007-01-11 US disclosed