SCHEMBL18434824

SCHEMBL18434824

CN(C)CCOc1cc2c(c3ncccc13)NSc1ccccc1-2

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 8/20 0.63
▸ HTR7 P34969 3/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ FLT3 P36888 1/20 0.35

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
SCHEMBL18434855 0.82 SLC40A1 (0.62) SLC40A1
SCHEMBL18434500 0.81 SLC40A1 (0.63) SLC40A1KDM4EALDH1A1
SCHEMBL18434469 0.79 SLC40A1 (0.64) SLC40A1
SCHEMBL11973453 0.77 SLC40A1 (1.00) SLC40A1
SCHEMBL18434697 0.76 SLC40A1 (0.67) SLC40A1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18434485 0.75 SLC40A1 (0.67) SLC40A1DRD2
SCHEMBL18434826 0.74 SLC40A1 (0.63) SLC40A1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12475058 0.74 SLC40A1 (0.55) SLC40A1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18434472 0.74 KDM4E (0.39) SLC40A1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18434664 0.74 SLC40A1 (0.55) SLC40A1KDM4EALDH1A1

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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