SCHEMBL17640535

SCHEMBL17640535

c1ccc(S2(c3ccccc3)c3ccccc3N(c3ccc(-c4noc(-c5ccc(N6c7ccccc7S(c7ccccc7)(c7ccccc7)c7ccccc76)cc5)n4)cc3)c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.50
▸ RAB9A P51151 9/20 0.47
▸ NPC1 O15118 7/20 0.47
▸ NFKB1 P19838 3/20 0.47
▸ NFKB2 Q00653 3/20 0.47
▸ RELA Q04206 3/20 0.47
▸ SMN1; SMN2 Q16637 10/20 0.46
▸ MAPT P10636 6/20 0.46
▸ HSD17B10 Q99714 4/20 0.46
▸ S1PR1 P21453 1/20 0.44
▸ TP53 P04637 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42

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
SCHEMBL22522876 0.84 L3MBTL1 (0.37) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL17640531 0.83 NR1H4 (0.62) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL22484956 0.82 PDE6D (0.38) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL17640553 0.82 NR1H4 (0.66) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL17640566 0.82 NR1H4 (0.66) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL22871622 0.81 L3MBTL1 (0.35) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL17640560 0.79 RAB9A (0.44) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL17640537 0.77 NR1H4 (0.58) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL17640544 0.77 NR1H4 (0.58) NR1H4RAB9ANPC1NFKB1NFKB2
SCHEMBL17640527 0.77 NR1H4 (0.53) NR1H4RAB9ANPC1NFKB1NFKB2

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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