SCHEMBL18434491

SCHEMBL18434491

[O-][S+]1Nc2c(cc(F)c3cccnc23)-c2cc(C(F)(F)F)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 12/20 0.58
▸ KIF11 P52732 1/20 0.43
▸ COMT P21964 2/20 0.40
▸ NFKBIA P25963 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ TOP1 P11387 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ CASP6 P55212 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL18434660 0.83 SLC40A1 (0.53) SLC40A1COMTKDM4EMEN1ALDH1A1
SCHEMBL18434678 0.77 SLC40A1 (0.57) SLC40A1KDM4EMEN1ALDH1A1LMNA
SCHEMBL18434326 0.75 SLC40A1 (0.60) SLC40A1KIF11COMTNFKBIARELA
SCHEMBL11973254 0.73 SLC40A1 (1.00) SLC40A1NFKBIARELA
SCHEMBL18434688 0.69 SLC40A1 (0.53) SLC40A1KDM4EMEN1ALDH1A1LMNA
SCHEMBL18434682 0.65 SLC40A1 (0.50) SLC40A1KDM4EALDH1A1LMNAMAPT
SCHEMBL18434816 0.65 SLC40A1 (0.55) SLC40A1TDP1GSK3B
SCHEMBL18434695 0.65 SLC40A1 (0.63) SLC40A1KDM4EL3MBTL1
SCHEMBL18434454 0.65 SLC40A1 (0.53) SLC40A1NFKBIARELAKDM4EMEN1
SCHEMBL18434854 0.64 SLC40A1 (0.59) SLC40A1KDM4EMEN1ALDH1A1MAPT

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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