SCHEMBL11762076

SCHEMBL11762076

O=C(Nc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12)c1cccc([N+](=O)[O-])c1.[Na].[Na]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
TDP1 Q9NUW8 3/20 0.60
MAPT P10636 3/20 0.60
TIMP3 P35625 3/20 0.54
ALDH1A1 P00352 2/20 0.54
USP2 O75604 2/20 0.54
RECQL P46063 2/20 0.54
HSD17B10 Q99714 2/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
CD40 P25942 2/20 0.53
CD40LG P29965 2/20 0.53
POLB P06746 2/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PABPC1 P11940 1/20 0.48
DUSP3 P51452 1/20 0.48
PTPN5 P54829 1/20 0.48

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
SCHEMBL11437141 0.90 RAB9A (0.61) KMT2AMEN1TDP1MAPTTIMP3
SCHEMBL11431474 0.90 KMT2A (0.59) KMT2AMEN1TDP1MAPTTIMP3
SCHEMBL11212276 0.89 KMT2A (0.58) KMT2AMEN1TDP1MAPTTIMP3
SCHEMBL30388456 0.89 KMT2A (0.69) KMT2AMEN1TDP1MAPTTIMP3
SCHEMBL7613478 0.89 KMT2A (0.69) KMT2AMEN1TDP1MAPTTIMP3
SCHEMBL11212273 0.89 KMT2A (0.58) KMT2AMEN1TDP1MAPTTIMP3
SCHEMBL11757962 0.89 CD40 (0.66) KMT2AMEN1TDP1MAPTTIMP3
SCHEMBL11434217 0.88 RAB9A (0.61) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL11425328 0.88 RAB9A (0.61) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL11762070 0.87 KMT2A (0.57) KMT2AMEN1TDP1MAPTALDH1A1

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