SCHEMBL367044

SCHEMBL367044

CCCOC(=O)c1c2ccccc2n2cc(OC(C)CC(=O)C(F)(F)F)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL365111 0.88 EGFR (0.40) ELANEGABRPGABRDGABRA1GABRB1
SCHEMBL364848 0.87 GABRP (0.41) ELANEGABRPGABRDGABRA1GABRB1
SCHEMBL367043 0.87 ALDH1A1 (0.50) ELANEGABRPGABRDGABRA1GABRB1
SCHEMBL366161 0.87 ELANE (0.37) ELANEGABRPGABRDGABRA1GABRB1
SCHEMBL365589 0.84 GABRP (0.42) ELANEGABRPGABRDGABRA1GABRB1
SCHEMBL366945 0.83 EGFR (0.46) ELANEALDH1A1KDM4EMEN1MAPT
SCHEMBL365766 0.83 STS (0.41) ELANEGABRPGABRDGABRA1GABRB1
SCHEMBL364167 0.83 GABRP (0.41) ELANEGABRPGABRDGABRA1GABRB1
SCHEMBL366953 0.80 ALDH1A1 (0.46) ELANEGABRPGABRDGABRA1GABRB1
SCHEMBL366000 0.78 ELANE (0.47) ELANEGABRPGABRDGABRA1GABRB1

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed