SCHEMBL28442730

SCHEMBL28442730

CN(CCCc1nccn1C)C(=O)[C@@H](CO)NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ CXCR4 P61073 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FDPS P14324 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MLYCD O95822 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL28442734 1.00 FNTA (0.35) FNTAFNTBDRD4CXCR4KMT2A
SCHEMBL28435253 0.83 CTSK (0.42) KMT2ALMNAMEN1
SCHEMBL16291855 0.83 CTSK (0.42) KMT2ALMNAMEN1
SCHEMBL28436878 0.81 DRD4 (0.37) FNTAFNTBDRD4CXCR4KMT2A
SCHEMBL15639020 0.81 DRD4 (0.37) FNTAFNTBDRD4CXCR4KMT2A
SCHEMBL16291432 0.79 KDM5B (0.39) DRD4
SCHEMBL16310762 0.79 KDM5B (0.39) DRD4
SCHEMBL19574692 0.72 KDM5B (0.41) DRD4
SCHEMBL27220830 0.70 DRD4 (0.49) FNTAFNTBDRD4CXCR4KMT2A
Acetic Acid SCHEMBL2943155 0.69 FNTA (0.47) FNTAFNTBDRD4KMT2ANPC1

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
CN-107434803-B Inhibitors of histone demethylases 吉利德科学公司 2020-05-05 — — CN disclosed
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