SCHEMBL28790889

SCHEMBL28790889

Cc1c(C(N)=O)c(C)n(CC2CCNCC2)c1OC=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 0.35
NOTUM Q6P988 1/20 0.33
PARP1 P09874 1/20 0.33
FEN1 P39748 1/20 0.32
MAOA P21397 1/20 0.31
BRD4 O60885 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL1313251 0.83 PIM1 (0.37) PIM1PIM3PIM2NOTUMPARP1
SCHEMBL1313864 0.69 ALOX15 (0.37)
SCHEMBL17104265 0.65 CHRM1 (0.34)
SCHEMBL1312777 0.63 PARP1 (0.35) PIM1PIM3PIM2PARP1
SCHEMBL1313751 0.61 PARP1 (0.34) PIM1PIM3PIM2PARP1
SCHEMBL1313248 0.60 NOTUM (0.31) NOTUMBRD4
SCHEMBL4637505 0.59 TDP1 (0.42) NOTUMFEN1BRD4
Hydrochloric Acid SCHEMBL6147214 0.57 TDP1 (0.45) NOTUMFEN1BRD4TLR8TLR7
SCHEMBL505815 0.57 GABRA5 (0.48) MAOA
Hydrochloric Acid SCHEMBL1018925 0.56 GABRA5 (0.47) MAOA

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-102066362-A Dihydroindolinone derivatives SHANGHAI INST PHARM INDUSTRY 2011-05-18 CN disclosed