SCHEMBL4060088

SCHEMBL4060088

OC1c2cc(/C=C/c3ccc4cc(F)c(F)cc4n3)ccc2OCc2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
PAX8 Q06710 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
HPGD P15428 1/20 0.33
PIM1 P11309 2/20 0.31
CYSLTR2 Q9NS75 1/20 0.31
CYSLTR1 Q9Y271 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
PKM P14618 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4060091 1.00 GLA (0.39) GLAPAX8NPC1RAB9ASMN1; SMN2
SCHEMBL4052130 0.88 GLA (0.39) GLAPAX8NPC1RAB9ASMN1; SMN2
SCHEMBL4052135 0.88 GLA (0.39) GLAPAX8NPC1RAB9ASMN1; SMN2
SCHEMBL7252158 0.86 GLA (0.44) GLAPAX8NPC1RAB9ASMN1; SMN2
SCHEMBL7252154 0.86 GLA (0.44) GLAPAX8NPC1RAB9ASMN1; SMN2
SCHEMBL7243493 0.85 GLA (0.40) GLAPAX8NPC1RAB9ASMN1; SMN2
SCHEMBL7243489 0.85 GLA (0.40) GLAPAX8NPC1RAB9ASMN1; SMN2
SCHEMBL4230502 0.84 GLA (0.35) GLAPAX8
SCHEMBL4230499 0.84 GLA (0.35) GLAPAX8
SCHEMBL4232327 0.84 TBXAS1 (0.34) GLAPIM1CYSLTR2CYSLTR1

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 7 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-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