SCHEMBL11726331

SCHEMBL11726331

O=[N+]([O-])c1ccc(C(O)CN2CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.73
ALDH1A1 P00352 1/20 0.60
KCNJ1 P48048 2/20 0.55
KCNH2 Q12809 2/20 0.55
HTR1A P08908 2/20 0.54
NPC1 O15118 2/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
HTR2A P28223 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47

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
SCHEMBL297782 1.00 IGF1R (0.73) IGF1RALDH1A1KCNJ1KCNH2HTR1A
SCHEMBL1353999 0.92 IGF1R (0.64) IGF1RALDH1A1KCNJ1KCNH2HTR1A
SCHEMBL286837 0.89 KCNJ1 (0.73) IGF1RKCNJ1KCNH2HTR1AHTR2A
SCHEMBL4477546 0.88 KDM4E (0.70) IGF1RALDH1A1HTR1ASMN1; SMN2HTR2A
SCHEMBL27959969 0.85 IGF1R (1.00) IGF1RALDH1A1HTR1AMEN1KMT2A
SCHEMBL9515064 0.85 IGF1R (0.74) IGF1RALDH1A1HTR1AMEN1KMT2A
SCHEMBL4475769 0.85 KDM4E (0.70) IGF1RALDH1A1HTR1ANPC1SMN1; SMN2
SCHEMBL4483824 0.85 KDM4E (0.70) IGF1RALDH1A1HTR1ANPC1SMN1; SMN2
SCHEMBL4478168 0.85 KDM4E (0.70) IGF1RALDH1A1HTR1ANPC1SMN1; SMN2
SCHEMBL4470929 0.84 IGF1R (0.57) IGF1RKCNJ1KCNH2HTR1AMEN1

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
US-4059588-A RING CLOSURE ICI AUSTRALIA LIMITED (AU) 1977-11-22 US disclosed