SCHEMBL18230388

SCHEMBL18230388

O=C(Nc1nc(-c2ccc(N3CCOCC3)cn2)c(C(F)(F)F)s1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.61
▸ MAPT P10636 3/20 0.52
▸ STAT3 P40763 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ BTK Q06187 2/20 0.46
▸ LMNA P02545 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ EPAS1 Q99814 2/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44

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
SCHEMBL18230428 0.87 MAPT (0.46) LRRK2MAPTSTAT3SMN1; SMN2ALDH1A1
SCHEMBL18230368 0.86 TRPV4 (0.46) LRRK2MAPTSTAT3SMN1; SMN2
SCHEMBL18094547 0.84 LRRK2 (0.57) LRRK2MAPTSTAT3SMN1; SMN2BTK
SCHEMBL18230481 0.79 STAT3 (0.47) MAPTSTAT3SMN1; SMN2LMNA
SCHEMBL18230400 0.78 TRPV4 (0.56) LRRK2MAPTSTAT3SMN1; SMN2LMNA
SCHEMBL18230378 0.77 MPL (0.49) STAT3
SCHEMBL21753690 0.76 LRRK2 (1.00) LRRK2
SCHEMBL18230422 0.76 LRRK2 (0.56) LRRK2MAPTSTAT3SMN1; SMN2BTK
SCHEMBL18094571 0.75 LRRK2 (0.46) LRRK2MAPTSTAT3SMN1; SMN2LMNA
SCHEMBL18230521 0.75 TRPV1 (0.59) MAPTSTAT3SMN1; SMN2LMNAALDH1A1

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-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
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