SCHEMBL8399129

SCHEMBL8399129

CCN(C(=O)C=NOC)c1ccccc1COc1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
THRB P10828 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.39
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
PKM P14618 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL8399054 0.92 MEN1 (0.43) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL8398724 0.91 NISCH (0.38) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL8398948 0.89 LMNA (0.41) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL8395408 0.88 CYP3A4 (0.43) LMNAMEN1KMT2AMAPTTRPM8
SCHEMBL8396234 0.87 PPARD (0.39) LMNATHRBLTB4RLTB4R2SLC1A5
SCHEMBL8399060 0.87 TP53 (0.45) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL8398993 0.87 KMT2A (0.41) LMNAMEN1KMT2AALDH1A1MAPK1
SCHEMBL8395326 0.87 LMNA (0.43) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL8397821 0.86 RXRA (0.41) LMNAMAPK1MRGPRX4MAOB
SCHEMBL8519936 0.85 NISCH (0.36) LMNAMEN1KMT2AL3MBTL1CYP3A4

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 3 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
EP-0644183-A2 Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1995-03-22 EP disclosed