SCHEMBL5311981

SCHEMBL5311981

N=C(NO)C1CCCN1C(=O)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.50
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 2/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.43
ACE P12821 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL5310085 0.82 CHRNA7 (0.56) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5306566 0.81 SMN1; SMN2 (0.62) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL16508652 0.81 CHRNA7 (0.55) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL15347856 0.79 CHRNA7 (0.55) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL14664078 0.78 ALDH1A1 (0.53) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL14828729 0.78 CHRNA7 (0.51) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5311984 0.77 SPHK1 (0.52) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL845182 0.76 HSD17B10 (0.57) CHRNA7ALDH1A1KDM4ELMNARAB9A
SCHEMBL13753541 0.75 NPSR1 (0.61) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL27879665 0.73 CHRNA7 (0.51) CHRNA7ALDH1A1SMN1; SMN2KDM4ELMNA

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
WO-2007039781-A2 NEW COMPOUNDS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2007-04-12 WO disclosed