SCHEMBL13812798

SCHEMBL13812798

COc1ccccc1CCOc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PD P11413 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ MAPT P10636 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALPG P10696 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ GRM5 P41594 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ SGMS2 Q8NHU3 1/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ P2RX1 P51575 1/20 0.44

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
SCHEMBL13812930 0.90 G6PD (0.49) G6PDCRHBPCRHR2HTTMAPT
SCHEMBL13812763 0.88 GRM5 (0.53) HTTMAPTMEN1KMT2APOLB
SCHEMBL13812799 0.86 NR1H4 (0.50) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL13812801 0.85 GRM5 (0.48) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL13812800 0.84 KDM4E (0.50) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL13812560 0.81 P2RX1 (0.56) MAPTMEN1KMT2APOLBGRM5
SCHEMBL13812931 0.81 ALDH1A1 (0.49) HTTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13812737 0.81 RAB9A (0.66) HTTMAPTMEN1KMT2APKM
SCHEMBL13812742 0.80 KCNK3 (0.56) MAPTKMT2ASMN1; SMN2POLBRAB9A
SCHEMBL13812948 0.79 FADS1 (0.50) MAPTMEN1KMT2APOLBGRM5

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
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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