SCHEMBL29274264

SCHEMBL29274264

COC(=O)c1ccc(Cc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
MAPT P10636 2/20 0.51
GSK3B P49841 1/20 0.51
POLB P06746 2/20 0.50
MAOB P27338 1/20 0.50
PTPN1 P18031 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
ERN1 O75460 1/20 0.46
GAA P10253 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
SCHEMBL9018924 0.84 ALDH1A1 (0.50) POLBMAOBSMN1; SMN2KMT2AMEN1
SCHEMBL29274289 0.84 POLB (0.55) HTTMAPTPOLBSMN1; SMN2KMT2A
SCHEMBL25666676 0.80 SMN1; SMN2 (0.59) HTTMAPTGSK3BMAOBSMN1; SMN2
SCHEMBL8992964 0.79 MAPT (0.56) MAPTKMT2AMEN1NPC1RAB9A
Bicarbonate SCHEMBL27706334 0.79 ALDH1A1 (0.55) PTPN1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL9689325 0.78 MAPT (0.63) HTTMAPTPOLBSMN1; SMN2KMT2A
SCHEMBL4071946 0.78 MAPT (0.60) MAPTPOLBSMN1; SMN2KMT2ARAB9A
SCHEMBL70372 0.78 TSHR (0.57) MAPTPOLBRAB9AALDH1A1LMNA
SCHEMBL1773407 0.78 LOXL2 (0.53) MAPTSMN1; SMN2KMT2AMEN1NPC1
SCHEMBL2579068 0.78 KEAP1 (0.56) MAPTRAB9AALDH1A1LMNAHPGD

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-118239888-A Modularized synthesis method and application of acridine compound 厦门大学 2024-06-25 CN disclosed