SCHEMBL19472018

SCHEMBL19472018

Cc1nc2c(F)cccc2cc1Oc1cccc(F)c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ PRNP P04156 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ACHE P22303 1/20 0.31
▸ AR P10275 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ TRPA1 O75762 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL18796008 0.88 ALDH1A1 (0.32) MAPTSMN1; SMN2LMNAPOLBSTAT3
SCHEMBL18796118 0.87 LMNA (0.39) MAPTSMN1; SMN2LMNAPOLBSTAT3
SCHEMBL18796155 0.84 SMN1; SMN2 (0.51) MAPTSMN1; SMN2LMNAPOLBSTAT3
SCHEMBL19484249 0.81 LMNA (0.33) MAPTSMN1; SMN2LMNAPOLBSTAT3
SCHEMBL19484248 0.81 SMN1; SMN2 (0.33) MAPTSMN1; SMN2LMNAPOLBSTAT3
SCHEMBL31576195 0.81 LMNA (0.33) MAPTSMN1; SMN2LMNAPOLBSTAT3
SCHEMBL28630877 0.81 LMNA (0.33) MAPTSMN1; SMN2LMNAPOLBSTAT3
SCHEMBL19484251 0.80 LMNA (0.35) MAPTSMN1; SMN2LMNAPOLBSTAT3
SCHEMBL21858433 0.80 HTT (0.34) MAPTSMN1; SMN2LMNAPOLBSTAT3
SCHEMBL30341541 0.80 KDM4E (0.37) MAPTSMN1; SMN2LMNAPOLBSTAT3

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
WO-2017178408-A1 MICROBIOCIDAL SILICON CONTAINING ARYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-10-19 — — WO disclosed
WO-2017178408-A1 MICROBIOCIDAL SILICON CONTAINING ARYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2017-10-19 — — WO disclosed
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