SCHEMBL8399054

SCHEMBL8399054

CCN(C(=O)C=NOC)c1ccccc1COc1ccc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 2/20 0.37
PKM P14618 2/20 0.36
DHFR P00374 1/20 0.36
DCPS Q96C86 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL8399129 0.92 LMNA (0.41) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL8396308 0.88 KMT2A (0.44) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL8398724 0.87 NISCH (0.38) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL8398993 0.85 KMT2A (0.41) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL8399090 0.85 HIF1A (0.43) MEN1KMT2ADCPS
SCHEMBL8395408 0.84 CYP3A4 (0.43) MEN1KMT2ALMNAMAPTPTGDR2
SCHEMBL8399060 0.83 TP53 (0.45) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL8396234 0.83 PPARD (0.39) POLBLMNALTB4RLTB4R2THRB
SCHEMBL8398948 0.83 LMNA (0.41) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL8395678 0.83 MRGPRX4 (0.39) MEN1KMT2AHPGDLMNAKDM4E

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-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 EP disclosed
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US disclosed