SCHEMBL17640559

SCHEMBL17640559

c1ccc(S2(c3ccccc3)c3ccccc3N(c3ccc(-c4nsc(-c5ccc(N6c7ccccc7S(c7ccccc7)(c7ccccc7)c7ccccc76)cc5)n4)cc3)c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.42
▸ MAPT P10636 2/20 0.40
▸ HSD17B1 P14061 2/20 0.36
▸ HSD17B2 P37059 2/20 0.36
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ SNCA P37840 1/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL21916391 0.85 CYP19A1 (0.44) CYP19A1MAPTHSD17B1HSD17B2ADORA3
SCHEMBL21915473 0.84 CYP19A1 (0.41) CYP19A1MAPTHSD17B1HSD17B2ADORA3
SCHEMBL17640569 0.84 CYP19A1 (0.51) CYP19A1MAPTHSD17B1HSD17B2ADORA3
SCHEMBL22522876 0.83 L3MBTL1 (0.37) MAPTADORA3ADORA2AADORA2BADORA1
SCHEMBL17640631 0.83 CYP19A1 (0.50) CYP19A1MAPTHSD17B1HSD17B2ADORA3
SCHEMBL17640556 0.83 CYP19A1 (0.50) CYP19A1MAPTHSD17B1HSD17B2ADORA3
SCHEMBL22484956 0.81 PDE6D (0.38) MAPTADORA3ADORA2AADORA2BADORA1
SCHEMBL22871622 0.80 L3MBTL1 (0.35) MAPTADORA3ADORA2AADORA2BADORA1
SCHEMBL17640572 0.79 CYP19A1 (0.37) CYP19A1MAPTHSD17B1HSD17B2ADORA3
SCHEMBL17640580 0.78 CYP19A1 (0.45) CYP19A1MAPTHSD17B1HSD17B2ADORA3

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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