SCHEMBL11436623

SCHEMBL11436623

O=C(Nc1cccc2cc(S(=O)(=O)O)cc(O)c12)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
KDR P35968 1/20 0.54
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
PABPC1 P11940 1/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
EIF4H Q15056 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
TYMS P04818 1/20 0.51
GAA P10253 1/20 0.50
CASP3 P42574 1/20 0.49
POLB P06746 1/20 0.49
CACNA1B Q00975 1/20 0.49

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
SCHEMBL10412672 0.93 APEX1 (0.69) APEX1RAB9ANPC1KDRKMT2A
SCHEMBL11433857 0.92 APEX1 (0.58) APEX1RAB9ANPC1KDRKMT2A
SCHEMBL11434114 0.90 APEX1 (0.60) APEX1RAB9ANPC1KDRKMT2A
SCHEMBL10413406 0.85 MEN1 (0.58) APEX1RAB9ANPC1KDRKMT2A
SCHEMBL13619183 0.84 APEX1 (0.81) APEX1RAB9ANPC1KDRKMT2A
SCHEMBL11421997 0.84 RAB9A (0.59) RAB9ANPC1KDRKMT2AMEN1
SCHEMBL11423384 0.84 RAB9A (0.62) APEX1RAB9ANPC1KDRKMT2A
SCHEMBL11433791 0.84 SMN1; SMN2 (0.57) APEX1RAB9ANPC1KMT2AMEN1
SCHEMBL11424317 0.84 MAPT (0.57) APEX1RAB9ANPC1KMT2AMEN1
SCHEMBL11766331 0.84 RAB9A (0.55) APEX1RAB9ANPC1KDRKMT2A

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