SCHEMBL6967730

SCHEMBL6967730

O=C(Nc1ccc2c(c1)CCN(Cc1cccc([N+](=O)[O-])c1)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.44
APOB P04114 3/20 0.40
MTTP P55157 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
ABCG2 Q9UNQ0 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TNF P01375 1/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38

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
SCHEMBL6974835 0.89 ABCB1 (0.48) ABCB1APOBMTTPMEN1KMT2A
SCHEMBL6973828 0.88 UBE2M (0.45) ABCB1APOBMTTPMEN1KMT2A
SCHEMBL6974687 0.84 ABCB1 (0.41) ABCB1APOBMTTPMEN1KMT2A
SCHEMBL6973499 0.83 SMO (0.45) ABCB1APOBMTTPTNFNOD2
SCHEMBL6974444 0.82 KDM4E (0.44) ABCB1APOBMTTPALDH1A1KDM4E
SCHEMBL8470454 0.81 ENPP2 (0.41) ABCB1MEN1KMT2AMAPK1ALDH1A1
SCHEMBL6965865 0.81 APOB (0.41) ABCB1APOBMTTPMEN1KMT2A
SCHEMBL6974667 0.81 MEN1 (0.49) ABCB1APOBMTTPMEN1KMT2A
SCHEMBL6964489 0.81 SMO (0.50) APOBMTTP
SCHEMBL6964486 0.81 PLAU (0.46) APOBMTTPKMT2A

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
EP-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 EP claimed