SCHEMBL31473183

SCHEMBL31473183

Nc1ccc2[nH]c3cc([N+](=O)[O-])ccc3c(=O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.65
CTSL P07711 4/20 0.65
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
HSP90AA1 P07900 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PARP1 P09874 2/20 0.52
GRIA1 P42261 1/20 0.50
GRIA2 P42262 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50
KIF11 P52732 1/20 0.49
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49

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
SCHEMBL5333298 0.94 CTSV (0.69) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL5336435 0.93 CTSV (0.70) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL31473181 0.93 CTSV (0.70) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL2439209 0.93 CTSV (0.57) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL30272747 0.85 GABRA1 (0.59) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL31473178 0.83 PARP1 (0.59) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL5335867 0.83 PARP1 (0.59) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL6330879 0.82 CTSV (0.82) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL25791861 0.79 PARP1 (0.55) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5342370 0.79 PARP1 (0.58) MEN1KMT2AMAPTNPC1RAB9A

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-119390650-A Preparation method of diamine monomer containing acridone unit 东华大学 2025-02-07 CN disclosed