SCHEMBL8550062

SCHEMBL8550062

O=C(Nc1ccc2c(c1)CCN(S(=O)(=O)c1cccc3ccccc13)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ESR1 P03372 2/20 0.53
▸ ESR2 Q92731 2/20 0.53
▸ APOB P04114 9/20 0.53
▸ MTTP P55157 8/20 0.53
▸ TMPRSS2 O15393 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.45
▸ SMO Q99835 1/20 0.45
▸ NAMPT P43490 1/20 0.44

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
SCHEMBL6962135 0.87 GAA (0.60) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL8589850 0.80 GAA (0.51) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL8207411 0.79 MTTP (0.60) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL6966884 0.79 APOB (0.61) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL8208329 0.78 MTTP (0.57) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL8213389 0.78 APOB (0.60) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL8210402 0.77 MTTP (0.58) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL8199895 0.77 APOB (0.57) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL4742408 0.77 MTTP (0.58) KDM4EGAAMAPTALDH1A1LMNA
SCHEMBL8213404 0.77 MTTP (0.58) KDM4EGAAMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832069-A1 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 INC. (US) 1998-04-01 — — EP disclosed
WO-1996040640-A1 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 INC. (US) 1996-12-19 — — WO disclosed
Send feedback