SCHEMBL18434792

SCHEMBL18434792

Clc1ccnc2c3c(ccc12)-c1ccccc1SN3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 14/20 0.55
▸ KDM4E B2RXH2 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ LMNA P02545 2/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ ALOX15B O15296 1/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL18434412 0.83 SLC40A1 (0.55) SLC40A1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL11973691 0.83 SLC40A1 (0.55) SLC40A1HSP90AA1
SCHEMBL18434626 0.80 SLC40A1 (0.41) SLC40A1KDM4ELMNAMAPTTP53
SCHEMBL18434832 0.80 SLC40A1 (0.58) SLC40A1MEN1KMT2AHTR1A
SCHEMBL18434662 0.80 SLC40A1 (0.58) SLC40A1MAPK14
SCHEMBL18434654 0.80 SLC40A1 (0.58) SLC40A1MEN1ALDH1A1KMT2ALMNA
SCHEMBL18434785 0.80 SLC40A1 (0.58) SLC40A1KDM4EALDH1A1TDP1CYP3A4
SCHEMBL11973717 0.79 SLC40A1 (0.47) SLC40A1KDM4EL3MBTL1
SCHEMBL11973515 0.78 SLC40A1 (0.61) SLC40A1KDM4EL3MBTL1
SCHEMBL18434402 0.77 SLC40A1 (0.60) SLC40A1ALDH1A1MAPTL3MBTL1

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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