SCHEMBL17640560

SCHEMBL17640560

C[Si]1(C)c2ccccc2N(c2ccc(-c3noc(-c4ccc(N5c6ccccc6S(C)(C)c6ccccc65)cc4)n3)cc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.44
▸ NPC1 O15118 8/20 0.44
▸ NFKB1 P19838 5/20 0.44
▸ NFKB2 Q00653 5/20 0.44
▸ RELA Q04206 5/20 0.44
▸ NR1H4 Q96RI1 4/20 0.43
▸ S1PR1 P21453 2/20 0.41
▸ SMN1; SMN2 Q16637 10/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ TP53 P04637 6/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38

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
SCHEMBL19499745 0.91 NR1H4 (0.53) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL17640547 0.90 NR1H4 (0.55) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL17640538 0.90 NR1H4 (0.55) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL22002603 0.84 NPC1 (0.39) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL17640572 0.79 CYP19A1 (0.37) MAPT
SCHEMBL17640535 0.79 NR1H4 (0.50) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL19499747 0.79 NR1H4 (0.50) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL17640519 0.78 NR1H3 (0.34) RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL17640603 0.78 NR1H4 (0.53) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL17640541 0.78 NR1H4 (0.53) RAB9ANPC1NFKB1NFKB2RELA

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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