SCHEMBL28105307

SCHEMBL28105307

COc1ccnc2c(Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.46
▸ EPAS1 Q99814 1/20 0.45
▸ MAPT P10636 9/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ SLC40A1 Q9NP59 1/20 0.42
▸ GAK O14976 2/20 0.42
▸ LMNA P02545 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL11973471 0.84 SLC40A1 (0.53) SLC40A1LMNAALDH1A1CYP3A4
SCHEMBL28104838 0.83 GAK (0.45) MAPTMEN1KMT2ASLC40A1GAK
SCHEMBL8655521 0.73 MAPK1 (0.61) MAPK1EPAS1MAPTMEN1KMT2A
SCHEMBL9119799 0.73 EPAS1 (0.57) MAPK1EPAS1MAPTMEN1KMT2A
SCHEMBL10570949 0.73 EPAS1 (0.58) MAPK1EPAS1MAPTMEN1KMT2A
SCHEMBL11973755 0.72 SLC40A1 (0.59) SLC40A1LMNAALDH1A1
SCHEMBL2465309 0.72 MAPT (0.63) MAPK1EPAS1MAPTMEN1KMT2A
SCHEMBL11973017 0.71 MEN1 (0.48) MEN1KMT2ASLC40A1LMNAALDH1A1
SCHEMBL11973534 0.70 SLC40A1 (0.69) MAPK1MAPTMEN1KMT2ASLC40A1
SCHEMBL7292666 0.70 MAPT (0.65) MAPK1EPAS1MAPTMEN1KMT2A

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
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