SCHEMBL18434712

SCHEMBL18434712

[O-][S+]1Nc2c(cc(NCCN3CCOCC3)c3cccnc23)-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 3/20 0.64
▸ KMT2A Q03164 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SMARCA2 P51531 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ MITF O75030 2/20 0.45
▸ ACP1 P24666 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TOP2A P11388 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CASP9 P55211 1/20 0.40
▸ CASP6 P55212 1/20 0.40

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
SCHEMBL18434701 0.82 SLC40A1 (0.67) SLC40A1KDM4EL3MBTL1MITFPOLB
SCHEMBL18434505 0.80 SLC40A1 (0.60) SLC40A1MAPTTSHRMAPK1
SCHEMBL18434714 0.80 SLC40A1 (0.66) SLC40A1KMT2ALMNASMARCA2KDM4E
SCHEMBL11973775 0.78 SLC40A1 (1.00) SLC40A1
SCHEMBL18434820 0.78 SLC40A1 (0.49) SLC40A1KMT2ALMNAMEN1CASP7
SCHEMBL18434692 0.76 SLC40A1 (0.67) SLC40A1KDM4EPARP1HSD17B10
SCHEMBL18434621 0.72 SLC40A1 (0.65) SLC40A1
SCHEMBL18434854 0.72 SLC40A1 (0.59) SLC40A1KMT2AKDM4EL3MBTL1MITF
SCHEMBL18434688 0.71 SLC40A1 (0.53) SLC40A1KMT2ALMNAKDM4EL3MBTL1
SCHEMBL18434660 0.71 SLC40A1 (0.53) SLC40A1KMT2ALMNAKDM4EL3MBTL1

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