SCHEMBL28853263

SCHEMBL28853263

CC(C)C(N)C(=O)C(N)c1ncccn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.37
POLB P06746 1/20 0.33
XIAP P98170 2/20 0.32
BIRC2 Q13490 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
P2RX7 Q99572 1/20 0.31
FFAR2 O15552 2/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CIT O14578 1/20 0.30
SLC6A15 Q9H2J7 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
SCHEMBL28186497 0.89 POLB (0.33) POLBXIAPBIRC2DPP8DPP9
SCHEMBL28186485 0.84 XIAP (0.36) POLBXIAPBIRC2DPP8DPP9
SCHEMBL28187292 0.82 DPP8 (0.46) DPP8DPP9ALDH1A1KDM4ECIT
SCHEMBL28187322 0.77 SLC7A5 (0.42) SLC7A5CITSLC6A15
SCHEMBL28187290 0.73 P2RX7 (0.35) P2RX7CYP1A2CIT
SCHEMBL2177879 0.73 P2RX7 (0.37) P2RX7ALDH1A1LMNAKDM4E
SCHEMBL2177883 0.73 P2RX7 (0.37) P2RX7ALDH1A1LMNAKDM4E
SCHEMBL27770699 0.70 HSP90AA1 (0.33) ALDH1A1KDM4E
Valine SCHEMBL1389041 0.69 SLC7A5 (0.58) SLC7A5POLBDPP8DPP9LMNA
SCHEMBL7833643 0.68 FFAR2 (0.39) POLBP2RX7FFAR2ALDH1A1LMNA

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
CN-107446015-A Coumarin derivative and its production and use 首都医科大学 2017-12-08 CN disclosed