SCHEMBL5368376

SCHEMBL5368376

N=C=O.N=C=O.Nc1ccccc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.62
ALOX15 P16050 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 3/20 0.42
TSHR P16473 5/20 0.41
CYP2C9 P11712 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40

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
O-Tolylamine SCHEMBL272719 0.82 TDP1 (0.68) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
O-Tolylamine SCHEMBL29393491 0.82 TDP1 (0.68) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
O-Tolylamine SCHEMBL6418354 0.82 TDP1 (0.68) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
O-Tolylamine SCHEMBL112023 0.82 TDP1 (0.68) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL30426936 0.80 CYP3A4 (0.71) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL29351116 0.79
SCHEMBL6187 0.79
SCHEMBL5167521 0.79 CYP3A4 (1.00) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
Aniline SCHEMBL30416413 0.79 TSHR (0.65) CYP3A4CASP1ALDH1A1L3MBTL1TSHR
Aniline SCHEMBL8657605 0.79 TSHR (0.65) CYP3A4CASP1ALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169535-B2 Photosensitive composition and photosensitive lithographic printing plate KONICA MINOLTA HOLDINGS, INC. (JP) 2007-01-30 US disclosed
CN-1292305-C Photosensitive composition and photosenpsitive lithographic printing plate KONICA MINOLTA HOLDINGS INC (JP) 2006-12-27 CN disclosed
CN-1497338-A Photosensitive composition and photosenpsitive lithographic printing plate 柯尼卡美能达控股株式会社 2004-05-19 CN disclosed
US-20040091816-A1 Photosensitive composition and photosensitive lithographic printing plate KONICA MINOLTA HOLDINGS, INC. (JP) 2004-05-13 US disclosed
EP-1413925-A2 Photosensitive composition and photosensitive lithographic printing plate KONICA MINOLTA HOLDINGS, INC. (JP) 2004-04-28 EP disclosed