SCHEMBL8942096

SCHEMBL8942096

CCCCOC(=O)c1cc(=O)n(-c2ccccc2)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALKBH5 Q6P6C2 6/20 0.48
MMP1 P03956 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
CTSA P10619 3/20 0.46
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 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
SCHEMBL6757089 0.95 TSHR (0.51) TSHRTDP1L3MBTL1MEN1GAA
SCHEMBL10627912 0.95 TSHR (0.51) TSHRTDP1L3MBTL1MEN1GAA
SCHEMBL10885655 0.92 ALKBH5 (0.50) TSHRL3MBTL1MEN1GAAMAPT
SCHEMBL11516674 0.89 ALDH1A1 (0.48) TSHRTDP1L3MBTL1MEN1GAA
SCHEMBL2229684 0.87 MAPT (0.62) TSHRL3MBTL1MEN1GAAMAPT
SCHEMBL1819463 0.81 ALKBH5 (0.61) TSHRL3MBTL1MEN1GAAMAPT
SCHEMBL11043171 0.79 ALKBH5 (0.55) TSHRL3MBTL1MEN1GAAMAPT
SCHEMBL11201758 0.78 ALKBH5 (0.48) TSHRL3MBTL1MEN1GAAMAPT
SCHEMBL5527198 0.76 ALDH1A1 (0.60) TSHRTDP1MEN1GAAMAPT
SCHEMBL9196875 0.75 ALDH1A1 (0.62) TDP1MEN1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578711-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 US disclosed