SCHEMBL11433751

SCHEMBL11433751

O=C(Nc1cccc2c(O)c(S(=O)(=O)O)ccc12)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
MAPT P10636 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 1/20 0.53
CD40 P25942 1/20 0.53
CD40LG P29965 1/20 0.53
ALOX5 P09917 1/20 0.52
PABPC1 P11940 1/20 0.51
DUSP3 P51452 1/20 0.51
PTPN5 P54829 1/20 0.51
PTPN11 Q06124 1/20 0.51
EIF4H Q15056 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
POLB P06746 2/20 0.50
CASP3 P42574 1/20 0.50
GPR35 Q9HC97 1/20 0.50
CACNA1B Q00975 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
SCHEMBL11431680 0.90 NPC1 (0.57) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL11434698 0.89 CD40 (0.66) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL11425155 0.87 KMT2A (0.57) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL11425321 0.86 KMT2A (0.56) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL11429118 0.86 NPC1 (0.57) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL11425137 0.85 KMT2A (0.57) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL11426141 0.85 KMT2A (0.63) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL11433874 0.84 KMT2A (0.56) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL11500868 0.84 KMT2A (0.65) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL11425328 0.84 RAB9A (0.61) KMT2AMEN1MAPTTDP1RAB9A

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