SCHEMBL11568178

SCHEMBL11568178

CCNC(=O)Nc1onc(C)c1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
PKM P14618 2/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.45
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.42
CNR2 P34972 1/20 0.42
PDE4D Q08499 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40

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
SCHEMBL11567522 0.90 CNR2 (0.40) ALDH1A1PKMKDM4EMAPTPOLB
SCHEMBL11568893 0.88 ALDH1A1 (0.45) ALDH1A1PKMKDM4EPOLBTSHR
SCHEMBL11567986 0.88 ESR1 (0.40) ALDH1A1PKMKDM4EMAPTTSHR
SCHEMBL11567758 0.86 ALDH1A1 (0.48) ALDH1A1PKMKDM4EMAPTPOLB
SCHEMBL11570538 0.85 MAPT (0.41) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL11570051 0.78 ATM (0.44) ALDH1A1KDM4EPOLBTSHRCNR2
SCHEMBL2775305 0.75 ALDH1A1 (0.58) ALDH1A1PKMKDM4EPOLBTSHR
SCHEMBL11569307 0.74 ADORA3 (0.37) ALDH1A1TSHRCYP1A2LMNAHTT
SCHEMBL11567430 0.74 LMNA (0.40) ALDH1A1MAPTPOLBLMNAHTT
SCHEMBL9446167 0.74 ALDH1A1 (0.52) ALDH1A1PKMKDM4EMAPTPOLB

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-0002881-A1 5-Isoxazolylurea derivatives, their preparation, their use and compositions containing them FISONS plc (GB) 1979-07-11 EP claimed
EP-0002881-A1 5-Isoxazolylurea derivatives, their preparation, their use and compositions containing them FISONS plc (GB) 1979-07-11 EP disclosed