SCHEMBL8842848

SCHEMBL8842848

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(c2ccccc2)c2ccc(CCSCCNC(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.33
UTS2R Q9UKP6 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
MAPT P10636 2/20 0.31
CXCR3 P49682 1/20 0.31
GAA P10253 1/20 0.31
CA2 P00918 1/20 0.31
DRD2 P14416 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL7326194 0.90 PDCD1 (0.37) PDCD1CD274NAMPTMEN1KMT2A
SCHEMBL7330816 0.84 MEN1 (0.33) PDCD1CD274MEN1KMT2ATSHR
SCHEMBL8842947 0.82 UTS2R (0.34) PDCD1CD274NAMPTMEN1KMT2A
SCHEMBL7334319 0.82 SIGMAR1 (0.37) PDCD1CD274NAMPTMEN1KMT2A
SCHEMBL7335699 0.82 PDCD1 (0.38) PDCD1CD274NAMPTUTS2RSIGMAR1
SCHEMBL7326692 0.82 ADORA3 (0.36) PDCD1CD274UTS2RDRD2
SCHEMBL7326616 0.82 MEN1 (0.33) MEN1KMT2ATP53MAPTGAA
SCHEMBL7326950 0.82 NPSR1 (0.37) PDCD1CD274NAMPTMEN1KMT2A
SCHEMBL7322514 0.81 UTS2R (0.37) PDCD1CD274NAMPTMEN1KMT2A
SCHEMBL7326575 0.80 MEN1 (0.31) MEN1KMT2ATSHRMAPTGAA

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
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed