SCHEMBL31329328

SCHEMBL31329328

COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.72
ALDH1A1 P00352 4/20 0.62
MAPK1 P28482 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
TDP1 Q9NUW8 2/20 0.62
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
KMT2A Q03164 8/20 0.58
MEN1 O00255 6/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
GAA P10253 3/20 0.56
KDM4E B2RXH2 1/20 0.56
HTT P42858 2/20 0.55
NQO2 P16083 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
CYP2C9 P11712 1/20 0.53
POLB P06746 1/20 0.51

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
SCHEMBL28621063 0.87 MAPT (0.56) MAPTALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL28827217 0.86 MAPT (0.62) MAPTALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL28330096 0.84 KMT2A (0.69) MAPTALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL22261610 0.83 MAPT (0.74) MAPTALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL22261609 0.83 MAPT (0.74) MAPTALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL30677901 0.83 MAPT (0.74) MAPTALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL28328809 0.83 KMT2A (0.65) MAPTALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL1664757 0.81 ALDH1A1 (0.62) MAPTALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL15875089 0.81 MAPT (0.72) MAPTALDH1A1MAPK1L3MBTL1TDP1
Hydrochloric Acid SCHEMBL1664915 0.80 ALDH1A1 (0.61) MAPTALDH1A1MAPK1L3MBTL1TDP1

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-115950987-B Analytical detection method for phenylhydrazone compounds 暨明医药科技(苏州)有限公司 2025-01-28 CN disclosed