SCHEMBL10965798

SCHEMBL10965798

O=c1[nH]c2ccccc2c(=O)n1C1CCCCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 8/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
CA12 O43570 1/20 0.44
RNASEH1 O60930 1/20 0.44
ERCC1 P07992 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL6982576 0.79 CHRM2 (0.58) NPSR1LMNAALOX12HTTMEN1
SCHEMBL30858360 0.76 ALDH1A1 (0.62) NPSR1LMNAALOX12HTTMEN1
SCHEMBL6243579 0.76 ALDH1A1 (0.62) NPSR1LMNAALOX12HTTMEN1
SCHEMBL3960105 0.74 ALDH1A1 (0.53) NPSR1LMNAALOX12HTTMEN1
SCHEMBL10961892 0.74 ALDH1A1 (0.38) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL23071620 0.73 ALDH1A1 (0.43) LMNAHTTMEN1KMT2AALDH1A1
SCHEMBL5026596 0.71 CYP1A2 (0.41) NPSR1MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL30262675 0.71 ALDH1A1 (0.39) LMNAHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL7008960 0.70 ALDH1A1 (0.52) NPSR1LMNAALOX12HTTMEN1
SCHEMBL10651416 0.70 TSHR (0.64) LMNAKMT2AALOX15ALDH1A1HPGD

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-0060955-B1 SUBSTITUTED URACILS CONTAINING A 2-TETRAHYDROPYRANYL GROUP, PROCESS FOR THEIR PREPARATION AND PESTICIDAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1985-05-08 EP disclosed
EP-0060955-A1 Substituted uracils containing a 2-tetrahydropyranyl group, process for their preparation and pesticidal compositions containing them ROUSSEL-UCLAF (FR) 1982-09-29 EP disclosed