SCHEMBL6966731

SCHEMBL6966731

Nc1ccc2c(c1)CCN(C(=O)CN1C(=O)CSC1=S)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ GSK3A P49840 3/20 0.44
▸ GSK3B P49841 3/20 0.44
▸ NR1H2 P55055 1/20 0.41
▸ GAA P10253 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ POLB P06746 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PKM P14618 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL6967236 0.77 ALDH1A1 (0.58) MEN1KMT2ANR1H2GAATSHR
SCHEMBL6973945 0.71 NR1H2 (0.52) KMT2ANR1H2TSHRALDH1A1SMN1; SMN2
SCHEMBL6972682 0.70 NR1H2 (0.51) MEN1KMT2ANR1H2KDM4EPOLB
SCHEMBL6960916 0.70 NR1H2 (0.48) MEN1KMT2ANR1H2TSHRSMN1; SMN2
SCHEMBL6973919 0.70 NR1H2 (0.51) KMT2ANR1H2TSHRALDH1A1SMN1; SMN2
SCHEMBL6957857 0.70 NR1H2 (0.57) MEN1KMT2ANR1H2KDM4ENPC1
SCHEMBL6961357 0.70 HPGD (0.49) KMT2ANR1H2TSHRALDH1A1SMN1; SMN2
SCHEMBL381428 0.70 NR1H2 (0.56) MEN1KMT2ANR1H2SMN1; SMN2MAPT
SCHEMBL6961235 0.69 SGPL1 (0.51) MEN1KMT2ANR1H2TSHRALDH1A1
SCHEMBL6973588 0.69 DPP8 (0.51) MEN1KMT2ANR1H2KDM4EPOLB

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
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 disclosed
EP-1181954-A2 Biphenyl-2-carboxylic acid-tetrahydro-isoquinolin-6-yl amide derivatives, their preparation and use as inhibitors of microsomal triglyceride transfer protein and/or apolipoprotein B (ApoB) secretion PFIZER INC. (US) 2002-02-27 — — EP disclosed
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
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