SCHEMBL28039593

SCHEMBL28039593

COCCOc1cc[c]c(CN)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.33
DYRK1A Q13627 1/20 0.33
CHEK2 O96017 2/20 0.33
MAPK1 P28482 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PARP1 P09874 1/20 0.32
BRD4 O60885 1/20 0.32
CCL2 P13500 1/20 0.32
APP P05067 1/20 0.32
CHEK1 O14757 2/20 0.31
SYK P43405 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RECQL P46063 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL27999329 0.85 MAPT (0.39) MAOAKDM4E
SCHEMBL28051634 0.85 FYN (0.32)
SCHEMBL28008534 0.84 NCF1 (0.44) MAPK1KDM4E
SCHEMBL27793390 0.83 TSHR (0.41) MAPK1CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL3918671 0.80 TAAR1 (0.39)
SCHEMBL27321425 0.80 NPC1 (0.32) MAOA
SCHEMBL28096889 0.79 CHEK2 (0.36) MAOADYRK1ACHEK2MAPK1CYP1A2
SCHEMBL28008146 0.78 TDP1 (0.35) MAPK1
SCHEMBL28008161 0.78 TDP1 (0.35) MAPK1
SCHEMBL28008213 0.78 TDP1 (0.35) MAPK1

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-103459388-B Novel furanone derivative CARNA BIOSCIENCES, INC. (JP) 2015-11-25 CN disclosed