SCHEMBL31473181

SCHEMBL31473181

Nc1ccc2[nH]c3ccc([N+](=O)[O-])cc3c(=O)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.70
CTSL P07711 4/20 0.70
MEN1 O00255 3/20 0.61
MAPT P10636 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
NPC1 O15118 1/20 0.61
HSP90AA1 P07900 1/20 0.61
RAB9A P51151 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
PARP1 P09874 2/20 0.54
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA2 P47869 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
SCHEMBL5336435 1.00 CTSV (0.70) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL31473183 0.93 CTSV (0.65) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL5333298 0.93 CTSV (0.69) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL30272747 0.92 GABRA1 (0.59) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL2439209 0.84 CTSV (0.57) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL5342370 0.83 PARP1 (0.58) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL21828651 0.83 CTSV (1.00) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL29519210 0.83 CTSV (1.00) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL11424504 0.82 ALDH1A1 (0.52) CTSVCTSLMEN1MAPTKMT2A
SCHEMBL21828647 0.81 CTSV (0.70) CTSVCTSLMEN1MAPTKMT2A

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