SCHEMBL16256418

SCHEMBL16256418

COc1ccc2nc(-c3ccc(NC(=O)c4cccc(CF)c4)cc3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.57
▸ SCD O00767 3/20 0.57
▸ APP P05067 2/20 0.56
▸ RAB9A P51151 3/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ TP53 P04637 3/20 0.54
▸ MMP2 P08253 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MMP8 P22894 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ MGLL Q99685 1/20 0.52

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
SCHEMBL13391954 0.91 MAPT (0.58) MAPTSCDAPPRAB9ASMN1; SMN2
SCHEMBL1983311 0.87 MMP2 (0.69) MAPTSCDAPPRAB9ASMN1; SMN2
SCHEMBL2193825 0.87 APP (0.60) MAPTSCDAPPRAB9ASMN1; SMN2
SCHEMBL2192465 0.86 PLG (0.61) MAPTSCDAPPRAB9ASMN1; SMN2
SCHEMBL2195119 0.85 MAPT (0.75) MAPTSCDAPPRAB9ASMN1; SMN2
SCHEMBL12509013 0.85 SCD (0.57) MAPTSCDAPPRAB9ASMN1; SMN2
SCHEMBL1985009 0.85 SCD (0.67) MAPTSCDAPPRAB9ASMN1; SMN2
SCHEMBL5533999 0.83 MAPT (0.67) MAPTSCDRAB9ASMN1; SMN2NPC1
SCHEMBL2196699 0.83 MAPT (0.66) MAPTSCDAPPRAB9ASMN1; SMN2
SCHEMBL2192963 0.83 APP (0.71) MAPTSCDAPPRAB9ANPC1

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
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 — — US disclosed
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