SCHEMBL31506331

SCHEMBL31506331

Cc1cccc([N+](=O)[O-])c1OP(=O)(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KCNMA1 Q12791 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 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
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL4138765 0.83 CA2 (0.45) HSD17B10TDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL31506293 0.79 ALDH1A1 (0.40) HSD17B10TDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL22748836 0.78 ALDH1A1 (0.50) TDP1L3MBTL1SMN1; SMN2POLBKMT2A
SCHEMBL4127149 0.75 SCN8A (0.40) L3MBTL1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL31506320 0.74 GAA (0.42) HSD17B10TDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL31506301 0.74 HSD17B10 (0.38) HSD17B10TDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL31506365 0.73 ALDH1A1 (0.39) HSD17B10TDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL5552463 0.73 HSD17B10 (0.56) HSD17B10TDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL31506357 0.73 ALDH1A1 (0.42) TDP1L3MBTL1SMN1; SMN2POLBKMT2A
SCHEMBL4126503 0.72 TSHR (0.48) HSD17B10L3MBTL1TSHRSMN1; SMN2KMT2A

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-119528981-A Chiral phosphonate compound and derivative thereof, preparation method, pesticide bacteriostat and application 贵州大学 2025-02-28 CN disclosed