SCHEMBL8143169

SCHEMBL8143169

Cc1ccc(S(=O)(=O)N(C(=O)c2cccc3nc4ccccc4cc23)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.42
C1R P00736 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 1/20 0.40
CA9 Q16790 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL8985985 0.85 C1R (0.47) TP53C1RMAPTALDH1A1LMNA
SCHEMBL25350286 0.78 TP53 (0.49) TP53MAPTALDH1A1LMNAHTT
SCHEMBL8577911 0.77 C1R (0.49) C1RMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL25348064 0.77 TP53 (0.61) TP53MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL25349254 0.74 TP53 (0.48) TP53MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL8144973 0.74 HSP90AA1 (0.53) TP53C1RMAPTALDH1A1LMNA
SCHEMBL8136893 0.73 TP53 (0.49) TP53C1RMAPTALDH1A1LMNA
SCHEMBL25348979 0.70 TP53 (0.62) TP53MAPTALDH1A1LMNAHTT
Bromide SCHEMBL8469205 0.70 TP53 (0.52) TP53C1RMAPTLMNAKMT2A
SCHEMBL8144928 0.69 TP53 (0.64) TP53MAPTALDH1A1LMNAHPGD

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-6018047-A GROUP Z-A-AT POSITION 10, WHERE A IS A DIVALENT ORGANIC MOIETY AND Z IS CAPABLE OF COUPLING A BIOACTIVE COMPOUND, AND AT POSITION 9 AN ESTER WHICH FORMS DIOXETANE WITH HYDROGEN PEROXIDE; USE IN HETEROGENEOUS AND HOMOGENEOUS IMMUNOASSAYS ZOMER GIJSBERT (NL) 2000-01-25 US disclosed