SCHEMBL6971497

SCHEMBL6971497

Cc1ccsc1CN1CCc2c[c]ccc2C1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
ALOX5 P09917 1/20 0.35
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
METAP2 P50579 1/20 0.31
HSD11B1 P28845 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
SCHEMBL6963063 0.81 CYP3A4 (0.35) ALDH1A1KMT2A
SCHEMBL6962344 0.81 KDM4E (0.39) KDM4EALDH1A1POLB
SCHEMBL6968027 0.80 PARP1 (0.35) KDM4EALDH1A1KMT2ALMNA
SCHEMBL6961205 0.79 PARP1 (0.39) KMT2A
SCHEMBL6966047 0.78 ESR1 (0.37) KMT2A
SCHEMBL6974425 0.77 GBA1 (0.39) KDM4EALDH1A1KMT2APOLB
SCHEMBL6962637 0.77 GAA (0.39) ALDH1A1KMT2ALMNAPOLB
SCHEMBL6969257 0.77 SMN1; SMN2 (0.39) KDM4EALDH1A1KMT2ALMNAPOLB
SCHEMBL6967680 0.76 KMT2A (0.38) KDM4EALDH1A1KMT2ALMNA
SCHEMBL6970691 0.76 KDM4E (0.32) KDM4E

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-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