SCHEMBL11439166

SCHEMBL11439166

O=C(Nc1ccc2cccc(S(=O)(=O)O)c2c1O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD40 P25942 1/20 0.58
CD40LG P29965 1/20 0.58
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDR P35968 1/20 0.52
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
POLB P06746 2/20 0.50
BLM P54132 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
EIF4H Q15056 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
SCHEMBL11425089 0.89 CD40 (0.72) CD40CD40LGKMT2AMEN1RAB9A
SCHEMBL11511725 0.89 CD40 (0.69) CD40CD40LGKMT2AMEN1RAB9A
SCHEMBL11439477 0.87 CD40 (0.56) CD40CD40LGKMT2AMEN1RAB9A
SCHEMBL11422168 0.85 RAB9A (0.55) CD40CD40LGKMT2AMEN1RAB9A
SCHEMBL11425155 0.84 KMT2A (0.57) CD40CD40LGKMT2AMEN1RAB9A
SCHEMBL11430290 0.84 KMT2A (0.63) CD40CD40LGKMT2AMEN1RAB9A
SCHEMBL11423169 0.84 MAPT (0.55) CD40CD40LGKMT2AMEN1RAB9A
SCHEMBL11425171 0.84 HPGD (0.56) CD40CD40LGKMT2AMEN1RAB9A
SCHEMBL11437141 0.83 RAB9A (0.61) CD40CD40LGKMT2AMEN1RAB9A
SCHEMBL11430302 0.83 RAB9A (0.55) KMT2AMEN1RAB9ANPC1MAPT

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