SCHEMBL18434688

SCHEMBL18434688

[O-][S+]1Nc2c(cc(Br)c3cccnc23)-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 12/20 0.53
▸ HTT P42858 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ TP53 P04637 3/20 0.41
▸ HSP90AA1 P07900 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2D6 P10635 2/20 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
SCHEMBL18434660 0.85 SLC40A1 (0.53) SLC40A1MEN1KMT2AKDM4ETDP1
SCHEMBL18434854 0.78 SLC40A1 (0.59) SLC40A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL18434505 0.76 SLC40A1 (0.60) SLC40A1MAPT
SCHEMBL18434791 0.73 SLC40A1 (0.52) SLC40A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL18434842 0.73 SLC40A1 (0.52) SLC40A1HSP90AA1
SCHEMBL18434712 0.71 SLC40A1 (0.64) SLC40A1MEN1KMT2AKDM4EUSP2
SCHEMBL12475058 0.71 SLC40A1 (0.55) SLC40A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL18434820 0.71 SLC40A1 (0.49) SLC40A1MEN1KMT2ASMN1; SMN2USP2
SCHEMBL18434621 0.71 SLC40A1 (0.65) SLC40A1TDP1
SCHEMBL18434816 0.70 SLC40A1 (0.55) SLC40A1TDP1CYP1A2ALOX15HIF1A

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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