SCHEMBL28284302

SCHEMBL28284302

Cc1ccc(Sc2ccc([N+](=O)[O-])cc2)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
PTGES O14684 1/20 0.53
ACHE P22303 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
PDE7A Q13946 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TBXA2R P21731 1/20 0.47
LMNA P02545 3/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
IDO1 P14902 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 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
SCHEMBL18621204 0.87 ACHE (0.53) GAAPTGESACHEHSD17B10MAPT
SCHEMBL28284333 0.83 TSHR (0.56) GAAPTGESACHEHSD17B10MAPT
SCHEMBL28325601 0.81 PDE7A (0.57) GAAPTGESMAPTALDH1A1PDE7A
SCHEMBL6577902 0.81 ACHE (0.75) GAAPTGESACHEHSD17B10MAPT
SCHEMBL8866097 0.81 PDE7A (0.68) GAAPTGESMAPTALDH1A1PDE7A
SCHEMBL7607268 0.80 PDE7A (0.58) ACHEHSD17B10MAPTALDH1A1PDE7A
SCHEMBL2418894 0.80 SMN1; SMN2 (0.52) GAAACHEHSD17B10MAPTALDH1A1
SCHEMBL7263676 0.79 ALDH1A1 (0.64) GAAACHEHSD17B10MAPTALDH1A1
SCHEMBL31336597 0.78 PDE7A (0.56) GAAPTGESMAPTALDH1A1PDE7A
SCHEMBL15955833 0.77 ALDH1A1 (0.43) GAAPTGESMAPTALDH1A1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109574853-A For synthesizing method, catalyst and its application of amino benzenes compounds 普济生物科技(台州)有限公司 2019-04-05 CN disclosed