SCHEMBL17772304

SCHEMBL17772304

O=S(=O)(Nc1cccc2ccc(-c3cccc(OF)c3)nc12)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ MKNK2 Q9HBH9 2/20 0.33
▸ GAK O14976 2/20 0.33
▸ PLAU P00749 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ GLO1 Q04760 3/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ SLC40A1 Q9NP59 3/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ IKBKB O14920 1/20 0.32

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
SCHEMBL1034663 0.90 SLC40A1 (0.45) SLC40A1PIM1PIM2
SCHEMBL17772310 0.85 FABP1 (0.39) KDM4EALDH1A1HPGDHSD17B10PKM
Tert-Butyl Formate SCHEMBL27830718 0.83 SLC40A1 (0.40) SLC40A1PIM1
SCHEMBL1031607 0.80 SLC40A1 (0.47) KDM4EALDH1A1HPGDHSD17B10MAP4K4
SCHEMBL1035231 0.77 SLC40A1 (0.44) KDM4EALDH1A1HPGDHSD17B10SLC40A1
SCHEMBL27830716 0.73 SLC40A1 (0.40) SLC40A1PIM1
SCHEMBL1035477 0.73 SLC40A1 (0.40) KDM4EHPGDSLC40A1PIM1
SCHEMBL17772298 0.65 SMN1; SMN2 (0.51) ALDH1A1HPGDMEN1KMT2A
SCHEMBL1034313 0.63 SLC40A1 (0.49) SLC40A1
SCHEMBL1074809 0.62 SLC40A1 (0.48) SLC40A1

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-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 — — EP disclosed
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