SCHEMBL10694074

SCHEMBL10694074

COc1cc(N2C(=O)C3CCCC(C)N3C2=O)c(F)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPOX P50336 10/20 0.61
GRM4 Q14833 2/20 0.56
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
CCR6 P51684 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10613566 0.81 PPOX (0.65) PPOXALDH1A1SMN1; SMN2LMNATP53
SCHEMBL10694288 0.75 PPOX (0.57) PPOXALDH1A1SMN1; SMN2LMNATP53
SCHEMBL10938893 0.75 PPOX (0.54) PPOXALDH1A1SMN1; SMN2LMNATP53
SCHEMBL10611058 0.75 PPOX (0.63) PPOXALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL11037709 0.72 PPOX (0.53) PPOXALDH1A1SMN1; SMN2LMNATP53
SCHEMBL16899767 0.72 GRM4 (1.00) GRM4
SCHEMBL10695007 0.71 PPOX (0.46) PPOXALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL9805046 0.70 PPOX (0.57) PPOXALDH1A1SMN1; SMN2LMNATP53
SCHEMBL10696755 0.70 PPOX (0.39) PPOXGRM4
SCHEMBL10939313 0.70 PPOX (0.54) PPOX

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
EP-0272594-A1 Bicyclic imides, process for their preparation and their use in crop protection HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-29 EP disclosed