SCHEMBL18434490

SCHEMBL18434490

Clc1ccc2ccc3c(c2n1)NSc1ccccc1-3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 5/20 0.52
▸ TDP1 Q9NUW8 2/20 0.34
▸ PIM1 P11309 4/20 0.32
▸ PIM2 Q9P1W9 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NFKBIA P25963 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18434681 0.80 SLC40A1 (0.40) SLC40A1PIM1PIM2NFKBIARELA
SCHEMBL18434437 0.78 SLC40A1 (0.52) SLC40A1TDP1KDM4EMEN1ALDH1A1
SCHEMBL18434792 0.72 SLC40A1 (0.55) SLC40A1TDP1KDM4EMEN1ALDH1A1
SCHEMBL11973330 0.69 SLC40A1 (1.00) SLC40A1TDP1KDM4EMEN1ALDH1A1
SCHEMBL18434809 0.67 SLC40A1 (0.50) SLC40A1TDP1PIM1PIM2KDM4E
SCHEMBL18434829 0.67 SLC40A1 (0.57) SLC40A1TDP1KDM4EMEN1ALDH1A1
SCHEMBL18434412 0.67 SLC40A1 (0.55) SLC40A1TDP1KDM4EMEN1ALDH1A1
SCHEMBL11973691 0.66 SLC40A1 (0.55) SLC40A1
SCHEMBL12475058 0.64 SLC40A1 (0.55) SLC40A1TDP1KDM4EMEN1ALDH1A1
SCHEMBL557084 0.64 CCR1 (0.43) SLC40A1TDP1PIM1PIM2KDM4E

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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