Anthraquinone

Anthraquinone

SCHEMBL8469578

O=C1c2ccccc2C(=O)c2ccccc21.c1ccc(COCc2ccccc2)cc1

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
CDC25B P30305 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPK1 P28482 2/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PTPRC P08575 2/20 0.49
PTPN1 P18031 2/20 0.49
AKT1 P31749 1/20 0.48
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
KDM4E B2RXH2 1/20 0.46
CES2 O00748 1/20 0.46
APAF1 O14727 1/20 0.46

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
Naphthoquinone SCHEMBL8523737 0.83 TSHR (0.62) TSHRCDC25BMAPK1ALDH1A1PTPRC
SCHEMBL27380 0.83 TSHR (1.00) TSHRLMNAALDH1A1CA1CA2
Benzene SCHEMBL27997624 0.83 TSHR (1.00) TSHRLMNAALDH1A1CA1CA2
SCHEMBL5311581 0.83 TSHR (1.00) TSHRLMNAALDH1A1CA1CA2
SCHEMBL28301231 0.80 TSHR (0.83) TSHRKMT2AMAPK1MAPTSMN1; SMN2
SCHEMBL1009266 0.80 TSHR (0.94) TSHRLMNAALDH1A1CA1CA2
SCHEMBL9491202 0.80 TSHR (0.94) TSHRLMNAALDH1A1CA1CA2
Methane SCHEMBL11192510 0.80 TSHR (0.94) TSHRLMNAALDH1A1CA1CA2
SCHEMBL10317949 0.80 TSHR (0.94) TSHRLMNAALDH1A1CA1CA2
SCHEMBL9725547 0.80 TSHR (0.94) TSHRLMNAALDH1A1CA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5942370-A MULTICOLOR PHOTOPOLYMERIZATION CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-08-24 US disclosed
US-5677107-A PHOTOHARDENABLE FILM WITH PHOTORESPONSIVE AGENT; IRRADIATING SELECTIVE PORTIONS OF CROSS-SECTIONAL PATTERNS THAT ARE TO BE COLORED DIFFERENTLY SPECTRA GROUP LIMITED, INC. (US) 1997-10-14 US disclosed