SCHEMBL7879407

SCHEMBL7879407

CC(=O)C1=C(C)N(N2C(C)=C(C#N)C(c3ccccc3[N+](=O)[O-])C(C#N)=C2C)C(C)=C(C(C)=O)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.54
MAPT P10636 7/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 6/20 0.46
KMT2A Q03164 6/20 0.46
TDP1 Q9NUW8 2/20 0.46
ABCC4 O15439 2/20 0.46
CACNA1F O60840 2/20 0.46
ABCB11 O95342 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
OPRM1 P35372 2/20 0.46
SCN1A P35498 2/20 0.46
HTR2B P41595 2/20 0.46
CACNA1D Q01668 2/20 0.46
KCNH2 Q12809 2/20 0.46
CACNA1S Q13698 2/20 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
SCHEMBL3142647 0.77 KDM4E (0.52) MAPTALDH1A1KDM4EKMT2ATDP1
SCHEMBL3326305 0.75 ALDH1A1 (0.52) CUL4AMAPTALDH1A1KDM4EKMT2A
SCHEMBL204910 0.75 CUL4A (0.64) CUL4AMAPTALDH1A1KDM4EKMT2A
SCHEMBL29358809 0.73 CACNA1C (0.73) MAPTALDH1A1KDM4EKMT2ATDP1
SCHEMBL2815053 0.73 MAPT (0.54) CUL4AMAPTALDH1A1KDM4EKMT2A
SCHEMBL202183 0.73 CACNA1C (0.73) MAPTALDH1A1KDM4EKMT2ATDP1
SCHEMBL15571755 0.71 CUL4A (1.00) CUL4AMAPTALDH1A1KDM4EKMT2A
SCHEMBL7265869 0.71 KDM4E (0.58) CUL4AMAPTALDH1A1KDM4EKMT2A
SCHEMBL9138577 0.69 CACNA1C (0.67) MAPTALDH1A1KDM4EKMT2ATDP1
SCHEMBL10693916 0.68 ADORA3 (0.78) CUL4AMAPTALDH1A1KDM4EKMT2A

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-6333139-B1 PROVIDING POLYIMIDE PRECURSOR SOLUTION COMPRISING A POLYIMIDE PRECURSOR AND PHOTOSENSITIVE AGENT ON A LONG STAINLESS STEEL FOIL; FURTHER PROVIDING CONDUCTOR LAYER FORMED BY LAMINATING COPPER LAYER VIA CHROMIUM LAYER OR TITANIUM LAYER OR DIRECTLY NITTO DENKO CORPORATION (JP) 2001-12-25 US disclosed