SCHEMBL22441528

SCHEMBL22441528

CC/C(C)=N\NC(=O)c1cccc(C(=O)N/N=C(\C)CC)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 2/20 0.61
FURIN P09958 1/20 0.59
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 9/20 0.52
MAPT P10636 8/20 0.52
MTOR P42345 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.49
GLA P06280 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL6635795 1.00 OGG1 (0.61) OGG1FURINCYP1A2CYP3A4CYP2C19
SCHEMBL1562150 0.88 KDM4E (0.67) OGG1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL6636895 0.88 KDM4E (0.67) OGG1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL1562152 0.88 KDM4E (0.67) OGG1CYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL6636836 0.87 OGG1 (0.70) OGG1FURINCYP1A2CYP3A4CYP2C19
SCHEMBL6634931 0.83 MAPT (0.61) OGG1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL29586571 0.83 MAPT (0.61) OGG1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL1563270 0.83 MAPT (0.61) OGG1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL1563268 0.83 MAPT (0.61) OGG1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL6635616 0.82 RAB9A (0.55) OGG1FURINCYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3725838-A1 RUBBER COMPOSITION FOR TIRE TREAD AND TIRE Bridgestone Corporation (JP) 2020-10-21 EP disclosed
US-20200299490-A1 RUBBER COMPOSITION FOR TIRE TREAD AND TIRE BRIDGESTONE CORPORATION (JP) 2020-09-24 US disclosed