SCHEMBL4660659

SCHEMBL4660659

CCc1ccc(Nc2c(I)cc3c(c2Nc2ccc(CC)cc2)C(=O)c2ccc(C)cc2C3=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ELANE P08246 1/20 0.39
▸ APAF1 O14727 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ P2RY4 P51582 1/20 0.38
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 1/20 0.37
▸ NQO1 P15559 1/20 0.36
▸ POR P16435 1/20 0.36
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33

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
SCHEMBL375375 0.79 P2RY4 (0.50) LCKNPC1RAB9AMAPTALDH1A1
SCHEMBL30811431 0.72 NPC1 (0.72) LCKNPC1RAB9AMAPTALDH1A1
SCHEMBL13168834 0.72 NPC1 (0.72) LCKNPC1RAB9AMAPTALDH1A1
SCHEMBL13168836 0.72 NPC1 (0.72) LCKNPC1RAB9AMAPTALDH1A1
SCHEMBL13168819 0.69 MAPT (0.68) LCKNPC1RAB9AMAPTALDH1A1
SCHEMBL13168820 0.69 MAPT (0.67) LCKNPC1RAB9AMAPTALDH1A1
SCHEMBL13168818 0.69 MAPT (0.67) LCKNPC1RAB9AMAPTALDH1A1
Tectoquinone SCHEMBL5089866 0.68 MAPT (0.83) LCKNPC1RAB9AMAPTALDH1A1
SCHEMBL13893952 0.67 P2RY4 (0.57) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6067543 0.66 MAPT (0.64) LCKNPC1RAB9AMAPTALDH1A1

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
EP-1538154-B1 Quencher composition comprising anthraquinone moieties EXIQON AS (DK) 2008-12-31 — — EP claimed
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