SCHEMBL4058667

SCHEMBL4058667

O=C1c2cc(OCc3ccc4cc(F)c(F)cc4n3)ccc2OCc2ncncc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
ALOX5 P09917 1/20 0.36
LTB4R Q15722 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 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
SCHEMBL4055028 0.86 MAPK14 (0.42) SMN1; SMN2NPC1RAB9AMEN1CYP1A2
SCHEMBL4051147 0.80 LTB4R (0.43) CYSLTR2CYSLTR1ALOX5LTB4RPDE10A
SCHEMBL4052937 0.80 MAPK14 (0.40) SMN1; SMN2NPC1RAB9AMEN1CYP1A2
SCHEMBL4057906 0.79 PDE10A (0.40) SMN1; SMN2NPC1RAB9AMEN1CYP1A2
SCHEMBL7801392 0.76 MAPT (0.48) SMN1; SMN2NPC1RAB9AMEN1CYP1A2
SCHEMBL4062278 0.75 CYSLTR2 (0.36) CYSLTR2CYSLTR1LTB4RALOX5AP
SCHEMBL4056835 0.75 ALDH1A1 (0.57) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL4060094 0.74 CYSLTR2 (0.39) CYSLTR2CYSLTR1PDE10APDE4APDE4B
SCHEMBL4057651 0.72 CYSLTR2 (0.38) CYSLTR2CYSLTR1PDE10APDE4APDE4B
SCHEMBL13765238 0.71 MAPT (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
EP-1560834-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2005-08-10 EP disclosed
WO-2004043966-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2004-05-27 WO disclosed