SCHEMBL31538752

SCHEMBL31538752

CN(C)c1ccc(C=CC=[N+]([O-])c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
POLB P06746 3/20 0.47
GAA P10253 1/20 0.47
KLF5 Q13887 1/20 0.47
PTPN1 P18031 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 3/20 0.44
ALPG P10696 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TLR9 Q9NR96 1/20 0.44

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
SCHEMBL9315516 1.00 MAPT (0.49) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31538762 0.85 NPC1 (0.48) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31538748 0.83 NFE2L2 (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9315446 0.83 NFE2L2 (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2995976 0.82 RAB9A (0.70) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12349220 0.82 RAB9A (0.70) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3390220 0.81 RAB9A (0.68) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9315249 0.80 TSHR (0.49) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL31538750 0.80 TSHR (0.49) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL25244007 0.76 TTR (0.67) MAPTNPC1RAB9AALDH1A1SMN1; SMN2

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-119882346-A Water-soluble composition 奇美实业股份有限公司 2025-04-25 CN disclosed