SCHEMBL19708881

SCHEMBL19708881

CSCc1ccc(CNN)nc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.33
▸ CXCR4 P61073 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PI4KA P42356 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ PI4KB Q9UBF8 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ NOS3 P29474 1/20 0.30
▸ NOS1 P29475 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
SCHEMBL12336888 0.78 HRH3 (0.40) MAPTLMNAKDM4EMEN1NPC1
SCHEMBL20207665 0.77 HRH3 (0.33) IDO1HRH3NOS3NOS1NOS2
SCHEMBL18929523 0.77 HRH3 (0.33) LMNAHRH3NOS3NOS1NOS2
SCHEMBL23478964 0.72 GABRP (0.48) KDM4ERAB9ASMN1; SMN2PIK3CDNOS3
SCHEMBL26687370 0.71 HSP90AB1 (0.39) MAPTLMNAMEN1NPC1RAB9A
SCHEMBL9610886 0.70 SMN1; SMN2 (0.45) MAPTLMNAMEN1NPC1RAB9A
SCHEMBL20376261 0.69 NOS3 (0.36) IDO1HRH3NOS3NOS1NOS2
SCHEMBL31351637 0.68 MAOB (0.39) KDM4EKMT2ASMN1; SMN2
SCHEMBL16175840 0.68 MAOB (0.39) KDM4EKMT2ASMN1; SMN2
SCHEMBL30185830 0.68 ALDH1A1 (0.47) MAPTLMNAKDM4ESMN1; SMN2

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
WO-2017213252-A1 OXADIAZOLE COMPOUND AND USE AS PESTICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-12-14 — — WO disclosed
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