SCHEMBL5319394

SCHEMBL5319394

O=C(CCn1c2ccccc2c2ccc(OCCCCOc3ccccc3[N+](=O)[O-])cc21)OC(=O)CCn1c2ccccc2c2ccc(OCCCCOc3cccc4c3C(=O)CC4)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
PSEN1 P49768 8/20 0.37
PSEN2 P49810 8/20 0.37
APH1B Q8WW43 8/20 0.37
NCSTN Q92542 8/20 0.37
APH1A Q96BI3 8/20 0.37
PSENEN Q9NZ42 8/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
STAT1 P42224 1/20 0.37
HTT P42858 1/20 0.37
CYP2D6 P10635 2/20 0.37

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
SCHEMBL5319392 0.93 PSEN1 (0.40) KMT2AMAPTMEN1MAPK1RECQL
SCHEMBL5152180 0.85 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5154961 0.81 PSEN1 (0.49) KMT2AMAPTMEN1MAPK1RECQL
SCHEMBL5155221 0.80 KDM4E (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5154734 0.79 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5156015 0.78 KDM4E (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5151432 0.75 PSEN1 (0.48) KMT2AMAPTMEN1MAPK1RECQL
SCHEMBL5151250 0.74 NPC1 (0.47) KMT2AMAPTMEN1MAPK1RECQL
SCHEMBL5315810 0.72 PSEN1 (0.43) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5315833 0.72 MRGPRX4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007071456-A1 FLUORENES AND CARBAZOLES AS LIGANDS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 WO claimed