SCHEMBL28036227

SCHEMBL28036227

Cc1ccc(C(COC=O)c2scnc2C)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.34
SLC6A2 P23975 1/20 0.32
SRC P12931 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 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
SCHEMBL27743650 0.90 SLC6A3 (0.43) SLC6A3SLC6A2KDM4EPKM
SCHEMBL27764214 0.90 SLC6A3 (0.33) SLC6A3SLC6A2
SCHEMBL27743460 0.90 SLC6A3 (0.33) SLC6A3SLC6A2
SCHEMBL27741460 0.90 LY96 (0.34) SLC6A3SRCKDM4EPKM
SCHEMBL28036654 0.88 SLC6A3 (0.36) SLC6A3KDM4EPKM
SCHEMBL27764217 0.86 SLC6A3 (0.34) SLC6A3
SCHEMBL28036656 0.85 SLC6A3 (0.36) SLC6A3SRC
SCHEMBL27743428 0.81 NAMPT (0.37) SLC6A3SLC6A2KDM4E
SCHEMBL28979169 0.81 ERN1 (0.35)
SCHEMBL28036658 0.81 KDM4E (0.32) KDM4EPKM

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-105017242-A Novel biphenyl heterocyclic derivative, preparation method and use thereof as drug UNIV CHINA PHARMA 2015-11-04 CN disclosed