SCHEMBL3751732

SCHEMBL3751732

CCCC1=C(C(C)=O)C(c2ccccc2[N+](=O)[O-])C(C(C)=O)=C(CCC)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CACNA1C Q13936 4/20 0.52
CACNA1D Q01668 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
CACNA1F O60840 3/20 0.52
ADORA3 P0DMS8 3/20 0.52
CACNA1S Q13698 3/20 0.52
KMT2A Q03164 3/20 0.52
ABCC4 O15439 2/20 0.52
ABCB11 O95342 2/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 2/20 0.52
ADORA2A P29274 2/20 0.52
ADORA1 P30542 2/20 0.52
OPRM1 P35372 2/20 0.52
SCN1A P35498 2/20 0.52
HTR2B P41595 2/20 0.52
KCNH2 Q12809 2/20 0.52
SCN5A Q14524 2/20 0.52

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
SCHEMBL3749490 0.90 ALDH1A1 (0.54) ALDH1A1CACNA1CCACNA1DKDM4EMAPT
SCHEMBL29358809 0.80 CACNA1C (0.73) ALDH1A1CACNA1CCACNA1DKDM4EMAPT
SCHEMBL202183 0.80 CACNA1C (0.73) ALDH1A1CACNA1CCACNA1DKDM4EMAPT
SCHEMBL7951620 0.76 CACNA1C (0.71) ALDH1A1CACNA1CCACNA1DKDM4EMAPT
SCHEMBL8091424 0.76 CACNA1C (0.70) ALDH1A1CACNA1CCACNA1DKDM4EMAPT
SCHEMBL3142647 0.75 KDM4E (0.52) ALDH1A1CACNA1CCACNA1DKDM4EMAPT
SCHEMBL9138577 0.75 CACNA1C (0.67) ALDH1A1CACNA1CCACNA1DKDM4EMAPT
SCHEMBL16272636 0.75 CACNA1C (0.62) ALDH1A1CACNA1CCACNA1DKDM4EMAPT
SCHEMBL2815053 0.74 MAPT (0.54) ALDH1A1CACNA1CCACNA1DKDM4EMAPT
SCHEMBL11524929 0.74 CACNA1C (0.58) ALDH1A1CACNA1CCACNA1DKDM4EMAPT

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-8728705-B2 Negative photosensitive material, photosensitive board employing the negative photosensitive material, and negative pattern forming method NITTO DENKO CORPORATION (JP) 2014-05-20 US disclosed
US-20100304298-A1 NEGATIVE PHOTOSENSITIVE MATERIAL, PHOTOSENSITIVE BOARD EMPLOYING THE NEGATIVE PHOTOSENSITIVE MATERIAL, AND NEGATIVE PATTERN FORMING METHOD NITTO DENKO CORPORATION (JP) 2010-12-02 US disclosed
EP-2139483-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-06 EP disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed