SCHEMBL11528824

SCHEMBL11528824

O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 2/20 0.55
TP53 P04637 2/20 0.55
RORC P51449 6/20 0.54
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
CASP3 P42574 1/20 0.51
HTT P42858 2/20 0.50
AURKA O14965 1/20 0.50
NPC1 O15118 1/20 0.50
PDPK1 O15530 1/20 0.50
JAK2 O60674 1/20 0.50
GMNN O75496 1/20 0.50
EGFR P00533 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL11526911 0.83 CASP3 (0.56) SMN1; SMN2RAB9AMAPTKMT2AMEN1
SCHEMBL11532057 0.81 CASP3 (0.72) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL11598336 0.80 CRHBP (0.50) SMN1; SMN2RAB9AMAPTKMT2AMEN1
SCHEMBL11573044 0.79 POLB (0.70) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL25394310 0.78 MAPT (0.71) SMN1; SMN2RAB9AMAPTKMT2AMEN1
SCHEMBL11418929 0.78 CASP3 (0.76) RAB9AMAPTALDH1A1POLBCASP3
SCHEMBL14355326 0.77 CASP3 (0.74) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL11597531 0.76 MAPK1 (0.46) SMN1; SMN2RAB9AMAPTKMT2AMEN1
SCHEMBL20271919 0.76 MAOA (0.69) SMN1; SMN2RAB9AMAPTKMT2AMEN1
SCHEMBL11536324 0.76 CYP1A2 (0.56) SMN1; SMN2RAB9AMAPTKMT2AMEN1

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
US-4165306-A Mass-dyeing of polyester with anthraquinone and benzanthrone dyes SANDOZ LTD. (CH) 1979-08-21 US disclosed