SCHEMBL28105304

SCHEMBL28105304

O=[N+]([O-])c1ccc(C(F)(F)F)cc1Nc1cccc2cccnc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 10/20 0.66
NFKBIA P25963 4/20 0.66
RELA Q04206 4/20 0.66
AKR1B1 P15121 1/20 0.57
AKR1C4 P17516 1/20 0.57
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
AKR1C1 Q04828 1/20 0.57
PDE10A Q9Y233 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
OPRK1 P41145 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MDM4 O15151 1/20 0.48
MDM2 Q00987 1/20 0.48
AGTR1 P30556 1/20 0.47
KDR P35968 1/20 0.46

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
SCHEMBL28105311 0.91 SLC40A1 (0.69) SLC40A1NFKBIARELAAKR1B1AKR1C4
SCHEMBL11972968 0.82 SLC40A1 (0.86) SLC40A1NFKBIARELAMEN1KMT2A
SCHEMBL5113791 0.81 PDE10A (0.67) SLC40A1NFKBIARELAPDE10ALMNA
SCHEMBL11973679 0.79 SLC40A1 (1.00) SLC40A1NFKBIARELAMEN1KMT2A
SCHEMBL28105485 0.79 SLC40A1 (0.61) SLC40A1NFKBIARELAMAPTMEN1
SCHEMBL28105312 0.77 SLC40A1 (0.64) SLC40A1NFKBIARELAMAPTMEN1
SCHEMBL28232978 0.74 SLC40A1 (0.61) SLC40A1NFKBIARELAMAPT
SCHEMBL5445828 0.73 HSP90AA1 (0.62) SLC40A1NFKBIARELAPDE10ALMNA
SCHEMBL22144770 0.72 SLC40A1 (0.46) SLC40A1NFKBIARELALMNAMAPT
SCHEMBL379216 0.71 GLO1 (0.59) SLC40A1NFKBIALMNAMAPTHTT

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-103492028-B Sulfonaminoquinoline hepcidin antagonists 维福(国际)股份公司 2017-02-08 CN disclosed