SCHEMBL20122650

SCHEMBL20122650

CCC(C)(C)c1cc(C(F)(F)Cl)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.34
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
LOX P28300 1/20 0.33
ADRB2 P07550 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 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
SCHEMBL20031366 0.86 NOS3 (0.47) LOXL2NOS3NOS2LOXADRB2
SCHEMBL17808255 0.82 NOS3 (0.37) LOXL2NOS3NOS2LOXADRB2
SCHEMBL18532052 0.82 LMNA (0.35) TDP1NPC1RAB9ALMNAMAPK1
SCHEMBL18699091 0.81 MAPK1 (0.36) TDP1NPC1RAB9ALMNAMAPK1
SCHEMBL18745826 0.81 LOXL2 (0.49) LOXL2NOS3NOS2LOXADRB2
SCHEMBL18532099 0.77 ALDH1A1 (0.40) TDP1NPC1RAB9ALMNAMAPK1
SCHEMBL22624035 0.75 ALDH1A1 (0.40) TDP1NPC1RAB9ALMNAMAPK1
SCHEMBL18415080 0.75 LOXL2 (0.34) LOXL2LOXNPC1RAB9ALMNA
SCHEMBL22903529 0.74 SMN1; SMN2 (0.38) ADRB2TDP1NPC1RAB9ALMNA
SCHEMBL13998515 0.73 UHRF1 (0.45) NOS3NOS2NPC1RAB9ALMNA

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
US-9963445-B2 Chemical compounds SYNGENTA LIMITED (GB) 2018-05-08 US disclosed