SCHEMBL3458243

SCHEMBL3458243

CC(NC(=O)Cc1nn[nH]n1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
PKM P14618 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM6B O15054 1/20 0.50
KDM4A O75164 1/20 0.50
KDM5A P29375 1/20 0.50
KDM4E B2RXH2 1/20 0.49
FFAR2 O15552 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 2/20 0.47
GAA P10253 2/20 0.47
GPR139 Q6DWJ6 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL16017452 0.76 NAALAD2 (0.45) L3MBTL1FFAR2HTT
SCHEMBL6293620 0.75 ALDH1A1 (0.82) ALDH1A1MAPTHPGDCYP3A4CYP2D6
SCHEMBL19273225 0.75 ALDH1A1 (0.82) ALDH1A1MAPTHPGDCYP3A4CYP2D6
SCHEMBL14037741 0.75 ALDH1A1 (0.82) ALDH1A1MAPTHPGDCYP3A4CYP2D6
SCHEMBL353804 0.71 KDM6B (0.68) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19285674 0.71 GPR139 (0.66) ALDH1A1MAPTHPGDCYP3A4CYP2D6
SCHEMBL12975787 0.71 MAPT (0.65) ALDH1A1MAPTHPGDCYP3A4CYP2D6
SCHEMBL7204764 0.71 MAPT (0.65) ALDH1A1MAPTHPGDCYP3A4CYP2D6
SCHEMBL6083488 0.71 GPR139 (0.66) ALDH1A1MAPTHPGDCYP3A4CYP2D6
SCHEMBL12975495 0.71 MAPT (0.65) ALDH1A1MAPTHPGDCYP3A4CYP2D6

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
WO-2010018438-A2 TETRAZOLE GLYCOSIDES HETERO RESEARCH FOUNDATION (IN) 2010-02-18 WO disclosed
WO-2010018438-A2 TETRAZOLE GLYCOSIDES HETERO RESEARCH FOUNDATION (IN) 2010-02-18 WO disclosed