SCHEMBL11766331

SCHEMBL11766331

O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12)c1cccc([N+](=O)[O-])c1.[Na].[Na]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
MAPT P10636 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 2/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KDR P35968 1/20 0.52
ALOX5 P09917 1/20 0.51
GAA P10253 2/20 0.50
BLM P54132 1/20 0.50
APEX1 P27695 1/20 0.50
PABPC1 P11940 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 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
SCHEMBL11430180 0.94 RAB9A (0.54) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11439509 0.92 RAB9A (0.55) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11766327 0.88 RAB9A (0.54) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11431303 0.87 RAB9A (0.54) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL10412672 0.87 APEX1 (0.69) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11430302 0.86 RAB9A (0.55) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11423959 0.86 KMT2A (0.61) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL7224790 0.85 ALOX5 (0.56) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11138083 0.85 RAB9A (0.55) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11510760 0.85 RAB9A (0.51) RAB9ANPC1KMT2AMEN1MAPT

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-4027038-A NAPHTHALENEDISULFONIC ACID UREIDES AMERICAN CYANAMID COMPANY (US) 1977-05-31 US disclosed