SCHEMBL9804041

SCHEMBL9804041

Clc1ccc(-n2nccc2CCCCCCBr)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
OXTR P30559 1/20 0.34
NR3C2 P08235 1/20 0.34
NOTUM Q6P988 2/20 0.33
HSD11B1 P28845 2/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
RXRA P19793 2/20 0.32
RXRB P28702 2/20 0.32
RXRG P48443 2/20 0.32
HTT P42858 1/20 0.32
FLT3 P36888 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL9804062 0.84 POLB (0.43) SIRT2NR3C2HSD11B1KDM5AKDM5B
SCHEMBL2357959 0.74 MEN1 (0.46) MEN1KMT2AFFAR4OXTRNR3C2
SCHEMBL30737481 0.74 KMT2A (0.46) MEN1KMT2AFFAR4OXTRNR3C2
SCHEMBL2399244 0.70 MEN1 (0.43) MEN1KMT2AFFAR4OXTRNR3C2
SCHEMBL5596095 0.67 KCNH2 (0.53) SIRT2KCNH2
SCHEMBL7614753 0.67 KCNH2 (0.53) SIRT2KCNH2
SCHEMBL7562217 0.67 KCNH2 (0.53) SIRT2KCNH2
SCHEMBL7217191 0.67 KCNH2 (0.53) SIRT2KCNH2
SCHEMBL7464785 0.67 KCNH2 (0.53) SIRT2KCNH2
SCHEMBL7562067 0.67 KCNH2 (0.53) SIRT2KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026848-A Antirhinovirus agents SYNPHAR LABORATORIES INCORPORATED (CA) 1991-06-25 US disclosed
EP-0335636-A1 Antiviral compounds SYNPHAR LABORATORIES INC. (CA) 1989-10-04 EP disclosed