SCHEMBL1936901

SCHEMBL1936901

CNC(=O)c1c(-c2ccc(F)cc2)sc2ccc(-c3cccc(C(=O)N(c4ccccc4)C4CC4)c3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KAT6A Q92794 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM3 P20309 1/20 0.33
BCAT2 O15382 1/20 0.33
FYN P06241 1/20 0.33
TACR1 P25103 1/20 0.33
PDK2 Q15119 1/20 0.33
ADCY8 P40145 1/20 0.33
ADCY1 Q08828 1/20 0.33
ESR1 P03372 1/20 0.33
ATM Q13315 1/20 0.33
TLR9 Q9NR96 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1937622 0.97 MEN1 (0.40) MEN1KMT2AKAT6ACYP2D6CHRM2
SCHEMBL1934986 0.82 KDM4E (0.41) MEN1KMT2AKAT6ABCAT2ADCY8
SCHEMBL1919876 0.81 CYP3A4 (0.50)
SCHEMBL9912784 0.80 PTGES (0.44) KAT6AFYNESR1L3MBTL1ALDH1A1
SCHEMBL1918510 0.79 CYP3A4 (0.49)
SCHEMBL1936861 0.78 MEN1 (0.39) MEN1KMT2A
SCHEMBL2439222 0.78 CYP2C8 (0.53) KAT6APDK2ADCY8ADCY1
SCHEMBL1936816 0.77 ANO1 (0.38) KAT6APDK2ADCY8ADCY1ESR1
SCHEMBL1936783 0.77 PPARG (0.39) KAT6APDK2ADCY8ADCY1ESR1
SCHEMBL2439255 0.76 CYP2C8 (0.52) KAT6APDK2ADCY8ADCY1

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-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
EP-2331502-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
WO-2010030538-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed