SCHEMBL11813728

SCHEMBL11813728

FC(F)(F)c1cc2c(cc1Cl)n1nnnc1c1nnnn21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 13/20 0.42
▸ CUL4A Q13619 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CHEK1 O14757 1/20 0.34
▸ LIMK1 P53667 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ AR P10275 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL11867415 0.73 NOTUM (0.37) NOTUMCUL4AMAPTKDM4EALDH1A1
SCHEMBL11817707 0.71 PKM (0.46) CUL4AMAPTKDM4EALDH1A1MAPK1
SCHEMBL11248340 0.67 PKM (0.53) NOTUMALDH1A1MAPK1ARPOLB
SCHEMBL11602223 0.66 NOTUM (0.44) NOTUM
SCHEMBL16699742 0.64 NOTUM (0.47) NOTUMMAPK1
SCHEMBL30100590 0.62 NOTUM (0.46) NOTUMMAPK1
SCHEMBL2986241 0.62 NOTUM (0.46) NOTUMMAPK1
SCHEMBL1043062 0.62 NOTUM (0.41) NOTUM
SCHEMBL5085211 0.61 NPC1 (0.43) NOTUMMAPTKDM4EALDH1A1HTT
SCHEMBL8346712 0.61 NOTUM (0.57) NOTUMMAPTALDH1A1HTTAR

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-3988455-A Ditetrazolo(1,5-a:5',1'-c)quinoxalines for control of soil-borne phytopathogens ELI LILLY AND COMPANY (US) 1976-10-26 — — US disclosed
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