SCHEMBL18434463

SCHEMBL18434463

COCCNC(=O)c1ccc2c(c1)-c1cc(Cl)c3cccnc3c1N[S+]2[O-]

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 11/20 0.67
▸ HPGD P15428 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPK14 Q16539 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.39
▸ DGAT2 Q96PD7 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL18434840 0.89 SLC40A1 (0.53) SLC40A1HPGDKDM4EMEN1MAPK1
SCHEMBL18434695 0.81 SLC40A1 (0.63) SLC40A1KDM4E
SCHEMBL18434466 0.81 SLC40A1 (0.69) SLC40A1HPGDKDM4EMEN1MAPK1
SCHEMBL11995689 0.80 SLC40A1 (1.00) SLC40A1
SCHEMBL18434817 0.77 SLC40A1 (0.57) SLC40A1KDM4E
SCHEMBL18434471 0.75 SLC40A1 (0.66) SLC40A1HPGDKDM4ETGFBR1TP53
SCHEMBL18434678 0.72 SLC40A1 (0.57) SLC40A1HPGDKDM4EMEN1MAPK1
SCHEMBL11997062 0.70 SLC40A1 (0.82) SLC40A1
SCHEMBL16285219 0.70 SLC40A1 (0.62) SLC40A1KDM4EMEN1KMT2A
SCHEMBL11995690 0.69 SLC40A1 (0.80) SLC40A1

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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