SCHEMBL17066853

SCHEMBL17066853

BC(=O)[C@@](C)(N)Cc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
BLM P54132 1/20 0.43
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
PPARA Q07869 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX2 P34913 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
DPP4 P27487 1/20 0.40
IDO1 P14902 2/20 0.40
CYP2A6 P11509 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MMP3 P08254 1/20 0.40
MMP2 P08253 1/20 0.39
KDM1A O60341 1/20 0.39
PTGER4 P35408 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL17550663 0.87 KIF11 (0.45) KIF11BLMMMP12MMP13PPARA
SCHEMBL13709170 0.84 TSHR (0.43) KIF11BLMMMP12MMP13PPARA
SCHEMBL539358 0.83 PPARA (0.45) KIF11BLMMMP12MMP13PPARA
SCHEMBL539357 0.83 PPARA (0.45) KIF11BLMMMP12MMP13PPARA
SCHEMBL8694396 0.81 BLM (0.65) BLMPPARAHSD17B10EPHX2SLC22A12
SCHEMBL25058399 0.79 KIF11 (0.53) KIF11TSHRHSD17B10IDO1CYP2A6
SCHEMBL16381567 0.76 KIF11 (0.57) KIF11MMP12MMP13PPARATSHR
SCHEMBL5201384 0.75 SMN1; SMN2 (0.42) BLMTSHREPHX2CYP2A6LOXL2
SCHEMBL5201387 0.75 SMN1; SMN2 (0.42) BLMTSHREPHX2CYP2A6LOXL2
SCHEMBL5201595 0.75 SMN1; SMN2 (0.42) BLMTSHREPHX2CYP2A6LOXL2

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-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed