SCHEMBL18230311

SCHEMBL18230311

N#Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1ccc(C(F)(F)F)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TRPV1 Q8NER1 3/20 0.45
▸ ADORA3 P0DMS8 5/20 0.43
▸ PTGS1 P23219 2/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ ADORA2A P29274 1/20 0.41
▸ DEGS1 O15121 1/20 0.41
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ KCNE1 P15382 1/20 0.40
▸ KCNQ1 P51787 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL18230296 0.87 TRPV1 (0.54) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL18230475 0.85 MAPT (0.45) STAT3ALDH1A1LMNAMAPTHTT
SCHEMBL18113950 0.83 ADORA3 (0.39) ALDH1A1TRPV1ADORA3ADORA2A
SCHEMBL18230441 0.83 LMNA (0.43) STAT3ALDH1A1LMNAMAPTHTT
SCHEMBL18230504 0.80 SCD (0.47) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL18230321 0.79 ADORA2A (0.48) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL18230513 0.79 TLR7 (0.49) LMNAMAPTTRPV1ADORA2AKCNQ3
SCHEMBL18230430 0.78 LMNA (0.40) STAT3ALDH1A1LMNAMAPTHTT
SCHEMBL18230362 0.77 LRRK2 (0.45) ALDH1A1LMNAMAPTHTTSMN1; SMN2
SCHEMBL18230481 0.77 STAT3 (0.47) STAT3LMNAMAPTHTTSMN1; 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 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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