SCHEMBL18434714

SCHEMBL18434714

c1ccc2c(c1)SNc1c-2cc(NCCN2CCOCC2)c2cccnc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 3/20 0.66
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMARCA2 P51531 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ ACP1 P24666 2/20 0.46
▸ MITF O75030 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ PARP1 P09874 1/20 0.41
▸ TOP2A P11388 1/20 0.41
▸ CYP1A2 P05177 6/20 0.41
▸ CYP3A4 P08684 5/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ CYP2D6 P10635 4/20 0.41

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
SCHEMBL18434703 0.81 SLC40A1 (0.69) SLC40A1KDM4EL3MBTL1MITFPOLB
SCHEMBL11973775 0.80 SLC40A1 (1.00) SLC40A1
SCHEMBL18434712 0.80 SLC40A1 (0.64) SLC40A1KMT2ALMNASMARCA2KDM4E
SCHEMBL18434504 0.79 SLC40A1 (0.62) SLC40A1MAPTTSHRMAPK1
SCHEMBL18434857 0.79 SLC40A1 (0.49) SLC40A1LMNAKDM4EL3MBTL1POLB
SCHEMBL18434826 0.78 SLC40A1 (0.63) SLC40A1KDM4EHSD17B10ALDH1A1
SCHEMBL18434500 0.78 SLC40A1 (0.63) SLC40A1KDM4EACP1POLBTOP2A
SCHEMBL18434803 0.75 SLC40A1 (0.66) SLC40A1LMNAKDM4EALDH1A1TSHR
SCHEMBL18434693 0.75 SLC40A1 (0.69) SLC40A1KMT2AKDM4EMEN1PARP1
SCHEMBL18434849 0.71 SLC40A1 (0.60) SLC40A1KMT2AKDM4EL3MBTL1MITF

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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