SCHEMBL27558243

SCHEMBL27558243

O=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1CO[SH](=O)=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
CXCR1 P25024 3/20 0.61
TDP1 Q9NUW8 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MAPT P10636 3/20 0.53
KCNMA1 Q12791 1/20 0.51
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
RORC P51449 2/20 0.43
PPIA P62937 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.42
NR3C1 P04150 1/20 0.42

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
SCHEMBL5595115 0.86 MEN1 (0.63) CXCR2MEN1KMT2ACXCR1TDP1
SCHEMBL7487951 0.84 CXCR1 (0.63) CXCR2MEN1KMT2ACXCR1TDP1
SCHEMBL5594986 0.83 MEN1 (0.69) CXCR2MEN1KMT2ACXCR1TDP1
SCHEMBL6824079 0.83 MEN1 (0.69) CXCR2MEN1KMT2ACXCR1TDP1
SCHEMBL5595110 0.83 KMT2A (0.60) CXCR2MEN1KMT2ACXCR1TDP1
SCHEMBL7485664 0.81 CXCR1 (0.67) CXCR2MEN1KMT2ACXCR1TDP1
SCHEMBL7488086 0.80 CXCR1 (0.63) CXCR2MEN1KMT2ACXCR1TDP1
SCHEMBL7488285 0.80 CXCR1 (0.66) CXCR2MEN1KMT2ACXCR1TDP1
SCHEMBL5595104 0.79 CXCR1 (0.80) CXCR2MEN1KMT2ACXCR1TDP1
SCHEMBL5595118 0.77 CXCR2 (0.74) CXCR2MEN1KMT2ACXCR1TDP1

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
CN-1355697-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-06-26 CN disclosed