SCHEMBL2582842

SCHEMBL2582842

C=CC(C#N)c1ccccc1N

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP2K1 Q02750 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3804440 0.86 TRPA1 (0.33) ALDH1A1
SCHEMBL7084375 0.77 GABRA1 (0.42) CYP3A4ALOX15SMN1; SMN2CYP1A2CYP2C9
SCHEMBL6933929 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL8519698 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28110193 0.74 KDM4E (0.39) CASP1SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL2357790 0.73 CYP3A4 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL22697172 0.73 CYP3A4 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL1052816 0.71 TSHR (0.46) CYP3A4ALOX15SMN1; SMN2MAP2K1CYP2C19
SCHEMBL28847192 0.71 MAP2K1 (0.40) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL1763134 0.71 CYP3A4 (0.39) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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
EP-1906238-B1 Photosensitive composition and pattern forming method using the same FUJIFILM CORP (JP) 2011-11-09 EP disclosed
US-7824836-B2 Photosensitive composition and pattern forming method using the same FUJIFILM CORPORATION (JP) 2010-11-02 US disclosed
US-20080274421-A1 PHOTOSENSITIVE COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-11-06 US disclosed
EP-1906238-A2 Photosensitive composition and pattern forming method using the same FUJIFILM Corporation (JP) 2008-04-02 EP disclosed