SCHEMBL7990438

SCHEMBL7990438

N#Cc1cnc(OCc2c(F)cccc2F)c(O)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.36
HPGDS O60760 1/20 0.35
SYK P43405 3/20 0.34
ALKBH1 Q13686 1/20 0.34
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA3 P34903 2/20 0.33
P4HB P07237 2/20 0.33
S100A9 P06702 1/20 0.33
GABRA5 P31644 1/20 0.33
GAA P10253 1/20 0.33
CYP19A1 P11511 1/20 0.33
EGLN2 Q96KS0 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
SCHEMBL7990621 0.79 MAOB (0.51) EGLN1GABRG2GABRB3GABRA3GABRA5
SCHEMBL7993915 0.75 ALKBH1 (0.38) EGLN1ALKBH1GAA
SCHEMBL7990262 0.75 ALKBH1 (0.40) ALKBH1GAA
SCHEMBL15694306 0.68 HSD11B1 (0.37)
SCHEMBL7031067 0.66 LMNA (0.52) ALKBH1CYP19A1
SCHEMBL23247291 0.64 HPGDS (0.60) HPGDSSYKGABRG2GABRB3GABRA3
SCHEMBL26603007 0.64 CYP11B1 (0.40) HPGDSGABRG2GABRB3GABRA3GABRA5
SCHEMBL19212182 0.63 HPGDS (0.45) HPGDSGAAEGLN2
SCHEMBL31087475 0.63 HPGDS (0.45) HPGDSGAAEGLN2
SCHEMBL29108720 0.63 MPO (0.37) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6291530-B1 Aryl-substituted acrylamides with Leukotriene B4 (LTB-4) receptor antagonist activity NOVARTIS AG (CH) 2001-09-18 US disclosed
EP-0942903-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 1999-09-22 EP disclosed
WO-1998013347-A1 ARYL-SUBSTITUTED ACRYLAMIDES WITH LEUKOTRIENE B4 (LTB-4) RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 1998-04-02 WO disclosed