SCHEMBL11437141

SCHEMBL11437141

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.61
NPC1 O15118 1/20 0.61
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
MAPT P10636 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
PABPC1 P11940 1/20 0.56
DUSP3 P51452 1/20 0.56
PTPN5 P54829 1/20 0.56
PTPN11 Q06124 1/20 0.56
EIF4H Q15056 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
CD40 P25942 2/20 0.51
CD40LG P29965 2/20 0.51
POLB P06746 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AKR1C4 P17516 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
SCHEMBL11425328 0.96 RAB9A (0.61) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11430290 0.93 KMT2A (0.63) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11762076 0.90 KMT2A (0.60) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11432355 0.89 CD40 (0.63) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11426141 0.88 KMT2A (0.63) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11431474 0.87 KMT2A (0.59) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11434217 0.87 RAB9A (0.61) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11212276 0.86 KMT2A (0.58) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11212273 0.86 KMT2A (0.58) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL11421827 0.85 CD40 (0.63) 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-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed