SCHEMBL6992850

SCHEMBL6992850

CCCC1(CCC)C(=O)Sc2cc(OC)c(Br)cc2N(c2ccccc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.40
ALDH1A1 P00352 5/20 0.37
PGR P06401 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PTPN1 P18031 2/20 0.35
LMNA P02545 1/20 0.35
SLC6A2 P23975 1/20 0.34
SIRT1 Q96EB6 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 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
SCHEMBL29694602 0.81 SLC6A2 (0.36) ELANEALDH1A1NPSR1GPR55MAPT
SCHEMBL23456695 0.81 SLC6A2 (0.36) ELANEALDH1A1NPSR1GPR55MAPT
SCHEMBL22286445 0.80 SLC6A2 (0.40) ELANEALDH1A1NPSR1MAPTHSD17B10
SCHEMBL29728484 0.80 SLC6A2 (0.40) ELANEALDH1A1NPSR1MAPTHSD17B10
SCHEMBL7512573 0.79 ELANE (0.44) ELANEALDH1A1NPSR1GPR55MAPT
SCHEMBL6987940 0.78 ELANE (0.48) ELANEALDH1A1NPSR1GPR55MAPT
SCHEMBL19279084 0.78 SLC6A2 (0.40) ELANEALDH1A1NPSR1GPR55MAPT
SCHEMBL22286506 0.77 ELANE (0.39) ELANEALDH1A1NPSR1GPR55PTPN1
SCHEMBL29694594 0.77 ELANE (0.39) ELANEALDH1A1NPSR1GPR55PTPN1
SCHEMBL6987548 0.77 ELANE (0.47) ELANEALDH1A1NPSR1GPR55HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 WO disclosed