SCHEMBL18434591

SCHEMBL18434591

C=Cc1ccc(SC)c(-c2cc(F)c3cccnc3c2N)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 2/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MPI P34949 1/20 0.32
▸ 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
SCHEMBL18434582 0.67 SLC40A1 (0.43) SLC40A1L3MBTL1KDM4EMPIMEN1
SCHEMBL16955677 0.66 ALDH1A1 (0.39) ALDH1A1MAPTPKMTDP1
SCHEMBL19627551 0.64 ALDH1A1 (0.39) L3MBTL1KDM4EALDH1A1LMNAPOLB
SCHEMBL8856164 0.64 HSP90AA1 (0.42) L3MBTL1KDM4EMPIMEN1ALDH1A1
SCHEMBL22923964 0.62 KDM4E (0.55) L3MBTL1KDM4EMPIMEN1ALDH1A1
SCHEMBL1007795 0.61 DHFR (0.39) L3MBTL1KDM4EMEN1ALDH1A1LMNA
SCHEMBL7743581 0.61 L3MBTL1 (0.50) SLC40A1L3MBTL1KDM4EMPIMEN1
SCHEMBL22288159 0.61 HSP90AA1 (0.48) L3MBTL1KDM4EMPIMEN1ALDH1A1
SCHEMBL29661831 0.61 HSP90AA1 (0.48) L3MBTL1KDM4EMPIMEN1ALDH1A1
SCHEMBL7314285 0.60 ALDH1A1 (0.43) ALDH1A1MAPTPKMTDP1

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
Send feedback