SCHEMBL4050741

SCHEMBL4050741

OC1c2cnccc2C=Cc2ccc(/C=C/c3ccc4cc(F)c(F)cc4n3)cc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PIM1 P11309 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PTPN1 P18031 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
SCHEMBL4050746 1.00 KDM4E (0.33) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5335885 0.86 CYSLTR2 (0.38) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5335884 0.86 CYSLTR2 (0.38) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4052503 0.83 NPC1 (0.34) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4052504 0.83 NPC1 (0.34) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL4055234 0.81 CYSLTR1 (0.38) PIM1CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL4055232 0.81 CYSLTR1 (0.38) PIM1CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL5337055 0.78 CYSLTR2 (0.36) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5337057 0.78 CYSLTR2 (0.36) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5338662 0.77 KDM4E (0.36) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2

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 4 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