SCHEMBL18434701

SCHEMBL18434701

[O-][S+]1Nc2c(cc(Cl)c3cccnc23)-c2cc(NCCN3CCOCC3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 5/20 0.67
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HSP90AA1 P07900 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ METAP2 P50579 1/20 0.42
▸ APAF1 O14727 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CASP8 Q14790 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ CYP1A2 P05177 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ CYP2D6 P10635 3/20 0.39

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
SCHEMBL18434712 0.82 SLC40A1 (0.64) SLC40A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL18434703 0.81 SLC40A1 (0.69) SLC40A1L3MBTL1KDM4ENPC1RAB9A
SCHEMBL11973723 0.80 SLC40A1 (1.00) SLC40A1
SCHEMBL18434471 0.77 SLC40A1 (0.66) SLC40A1L3MBTL1KDM4EMETAP2ALDH1A1
SCHEMBL18434682 0.73 SLC40A1 (0.50) SLC40A1L3MBTL1KDM4ERAB9AHSP90AA1
SCHEMBL18434678 0.73 SLC40A1 (0.57) SLC40A1L3MBTL1KDM4EHSP90AA1METAP2
SCHEMBL18434821 0.70 SLC40A1 (0.64) SLC40A1L3MBTL1KDM4ERAB9AHSP90AA1
SCHEMBL18434817 0.70 SLC40A1 (0.57) SLC40A1L3MBTL1KDM4EMETAP2
SCHEMBL18434505 0.69 SLC40A1 (0.60) SLC40A1TSHRMAPTMAPK1
SCHEMBL18434463 0.68 SLC40A1 (0.67) SLC40A1KDM4EMAPK1POLB

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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