SCHEMBL18434582

SCHEMBL18434582

C=Cc1ccc2c(c1)-c1cc(F)c3cccnc3c1NS2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 5/20 0.43
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MPI P34949 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL18434664 0.82 SLC40A1 (0.55) SLC40A1KDM4EL3MBTL1MPIMEN1
SCHEMBL18434326 0.81 SLC40A1 (0.60) SLC40A1KDM4EL3MBTL1MPI
SCHEMBL18434680 0.74 SLC40A1 (0.58) SLC40A1KDM4EL3MBTL1MEN1ALDH1A1
SCHEMBL18434806 0.73 SLC40A1 (0.58) SLC40A1KDM4EL3MBTL1MEN1ALDH1A1
SCHEMBL18434560 0.70 KDM4E (0.41) SLC40A1KDM4EL3MBTL1MEN1ALDH1A1
SCHEMBL18434845 0.68 SLC40A1 (0.58) SLC40A1KDM4EL3MBTL1MEN1ALDH1A1
SCHEMBL18434653 0.68 SLC40A1 (0.46) SLC40A1KDM4E
SCHEMBL18434496 0.68 SLC40A1 (0.61) SLC40A1KDM4EL3MBTL1MEN1ALDH1A1
SCHEMBL18434486 0.68 SLC40A1 (0.61) SLC40A1L3MBTL1
SCHEMBL18434591 0.67 SLC40A1 (0.33) SLC40A1KDM4EL3MBTL1MPIMEN1

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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