SCHEMBL17479741

SCHEMBL17479741

Cc1c(C(=O)O)cccc1S(=O)(=O)NC1CCCCC1.NCCCN(C1CCCCC1)S(=O)(=O)c1cccc(-c2nc3cc(Cl)ccc3o2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ FBP1 P09467 1/20 0.37
▸ P2RY14 Q15391 6/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ DUSP1 P28562 2/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ POLB P06746 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
SCHEMBL17479006 0.85 SMN1; SMN2 (0.43) KDM4EALDH1A1NPSR1HPGDMAPK1
SCHEMBL17479172 0.83 SMN1; SMN2 (0.42) KDM4EALDH1A1NPSR1HPGDMAPK1
SCHEMBL17479698 0.81 SMN1; SMN2 (0.44) KDM4EALDH1A1NPSR1HPGDMAPK1
SCHEMBL17479795 0.79 SMN1; SMN2 (0.45) KDM4EALDH1A1NPSR1HPGDMAPK1
SCHEMBL17479791 0.79 KDM4E (0.42) KDM4EALDH1A1NPSR1HPGDMAPK1
SCHEMBL17479697 0.77 MAPK1 (0.38) KDM4EALDH1A1NPSR1HPGDMAPK1
SCHEMBL17479705 0.76 HSD17B10 (0.42) KDM4EALDH1A1NPSR1HPGDMAPK1
SCHEMBL17479057 0.73 PARP3 (0.46) KDM4EALDH1A1HPGDMAPK1USP2
SCHEMBL17479324 0.73 TSHR (0.38) KDM4EALDH1A1NPSR1HPGDMAPK1
SCHEMBL17479707 0.70 PSEN1 (0.39) KDM4EALDH1A1NPSR1HPGDMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174859-A1 FLT3 RECEPTOR ANTAGONISTS INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2017-06-07 — — EP disclosed
WO-2016016370-A1 FLT3 RECEPTOR ANTAGONISTS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-02-04 — — WO disclosed
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