SCHEMBL18230475

SCHEMBL18230475

N#Cc1sc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1-c1cc(C(F)(F)F)ccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ STAT3 P40763 1/20 0.43
▸ TRPV1 Q8NER1 2/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ ADORA3 P0DMS8 3/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ MPL P40238 1/20 0.39
▸ SCD O00767 1/20 0.39

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
SCHEMBL18230441 0.92 LMNA (0.43) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL18230504 0.88 SCD (0.47) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL18230296 0.88 TRPV1 (0.54) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL18230430 0.86 LMNA (0.40) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL18230362 0.85 LRRK2 (0.45) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL18230311 0.85 STAT3 (0.47) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL18230518 0.84 TRPV4 (0.46) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL18230422 0.84 LRRK2 (0.56) MAPTSMN1; SMN2STAT3LRRK2HDAC1
SCHEMBL18230513 0.83 TLR7 (0.49) MAPTLMNATRPV1ADORA2AADORA1
SCHEMBL18230321 0.82 ADORA2A (0.48) MAPTLMNAHTTSMN1; SMN2ALDH1A1

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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