SCHEMBL728511

SCHEMBL728511

C=CCc1cccc2c1C(=O)c1c(ccc(N)c1CC=C)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 2/20 0.40
ADORA2A P29274 2/20 0.38
AKR1B1 P15121 1/20 0.36
TOP2A P11388 1/20 0.35
PTPRC P08575 1/20 0.35
FGR P09769 1/20 0.34
PIM1 P11309 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
DYRK1A Q13627 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
CSNK1G1 Q9HCP0 1/20 0.34
IMPDH2 P12268 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 3/20 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
SCHEMBL6063387 0.96 ELANE (0.41) ELANEGABRA1GABRB2MAOAMAOB
SCHEMBL9355397 0.85 MAOA (0.56) ELANEMAOAMAOBADORA2APTPRC
SCHEMBL38652483 0.79 GABRA1 (0.50) ELANEGABRA1GABRB2MAOAMAOB
SCHEMBL175397 0.79 GABRA1 (0.50) ELANEGABRA1GABRB2MAOAMAOB
Water SCHEMBL28566474 0.77 GABRA1 (0.49) ELANEGABRA1GABRB2MAOAMAOB
SCHEMBL28395338 0.77 GABRA1 (0.49) ELANEGABRA1GABRB2MAOAMAOB
SCHEMBL7600157 0.75 ELANE (0.48) ELANEGABRA1GABRB2MAOAMAOB
SCHEMBL10775937 0.72 GABRA1 (0.50) ELANEGABRA1GABRB2MAOAADORA2A
SCHEMBL5420921 0.71 ADORA2A (0.43) ELANEGABRA1GABRB2MAOAMAOB
SCHEMBL8653935 0.71 MAOA (0.53) ELANEGABRA1GABRB2MAOAMAOB

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
JP-4740844-B2 2011-08-03 JP claimed
US-7087282-B2 Limited play optical storage medium, method for making the same GENERAL ELECTRIC COMPANY (US) 2006-08-08 US claimed
EP-1646682-A1 COLORED POLYMERIC RESIN COMPOSITION, ARTICLE MADE THEREFROM, AND METHOD FOR MAKING THE SAME GENERAL ELECTRIC COMPANY (US) 2006-04-19 EP claimed
WO-2005010090-A1 COLORED POLYMERIC RESIN COMPOSITION, ARTICLE MADE THEREFROM, AND METHOD FOR MAKING THE SAME GENERAL ELECTRIC COMPANY (US) 2005-02-03 WO claimed
US-20050014878-A1 Colored polymeric resin composition, article made therefrom, and method for making the same SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2005-01-20 US claimed
US-20050013232-A1 Limited play optical storage medium, method for making the same SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2005-01-20 US claimed
US-7087282-B2 Limited play optical storage medium, method for making the same GENERAL ELECTRIC COMPANY (US) 2006-08-08 US disclosed
US-20050014878-A1 Colored polymeric resin composition, article made therefrom, and method for making the same SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2005-01-20 US disclosed
US-20050013232-A1 Limited play optical storage medium, method for making the same SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2005-01-20 US disclosed
US-3960751-A LIQUID CRYSTAL MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JA) 1976-06-01 US disclosed