SCHEMBL18434776

SCHEMBL18434776

COc1ccnc2c(N(N)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(Cl)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 8/20 0.39
▸ MEN1 O00255 6/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HPGD P15428 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ SLC40A1 Q9NP59 2/20 0.36
▸ MDM4 O15151 1/20 0.35
▸ NFKBIA P25963 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ RELA Q04206 1/20 0.35

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
SCHEMBL11973017 0.79 MEN1 (0.48) GAAKMT2AMEN1ALDH1A1TDP1
SCHEMBL11973767 0.70 KMT2A (0.56) GAAKMT2AMEN1ALDH1A1TDP1
SCHEMBL11973822 0.67 SLC40A1 (0.64) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL24715769 0.67 MAPT (0.52) GAAKMT2AMEN1ALDH1A1TDP1
SCHEMBL11972993 0.66 SLC40A1 (0.47) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL11973471 0.65 SLC40A1 (0.53) ALDH1A1SLC40A1NFKBIARELA
SCHEMBL11973375 0.63 DYRK1A (0.45) NPC1SLC40A1
SCHEMBL6537951 0.63 KMT2A (0.51) GAAKMT2AMEN1ALDH1A1TDP1
SCHEMBL25247464 0.63 KMT2A (0.49) GAAKMT2AMEN1ALDH1A1TDP1
SCHEMBL2469901 0.63 ALDH1A1 (0.61) GAAKMT2AMEN1ALDH1A1TDP1

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
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 — — EP disclosed
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