SCHEMBL17640410

SCHEMBL17640410

c1ccc(-c2nc(-c3ccc(N4c5ccccc5S(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)nn2-c2ccc(N3c4ccccc4S(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 5/20 0.38
▸ NR1H2 P55055 4/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL17640493 0.99 SMN1; SMN2 (0.39) NR1H3NR1H2NPC1RAB9ASMN1; SMN2
SCHEMBL17640500 0.99 SMN1; SMN2 (0.39) NR1H3NR1H2NPC1RAB9ASMN1; SMN2
SCHEMBL17640497 0.85 NR1H2 (0.41) NR1H3NR1H2NPC1RAB9ASMN1; SMN2
SCHEMBL17640503 0.84 SMN1; SMN2 (0.48) NR1H3NR1H2NPC1RAB9ASMN1; SMN2
SCHEMBL19499729 0.84 SMN1; SMN2 (0.48) NR1H3NR1H2NPC1RAB9ASMN1; SMN2
SCHEMBL22522876 0.84 L3MBTL1 (0.37) NPC1RAB9AALDH1A1LMNA
SCHEMBL17640391 0.84 SMN1; SMN2 (0.48) NR1H3NR1H2NPC1RAB9ASMN1; SMN2
SCHEMBL17640491 0.84 SMN1; SMN2 (0.48) NR1H3NR1H2NPC1RAB9ASMN1; SMN2
SCHEMBL22484956 0.83 PDE6D (0.38) ALDH1A1LMNA
SCHEMBL19499723 0.83 SMN1; SMN2 (0.45) NR1H3NR1H2NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016046350-A1 FLUORESCENT ORGANIC LIGHT EMITTING ELEMENTS HAVING HIGH EFFICIENCY BASF SE (DE) 2016-03-31 — — WO disclosed
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