SCHEMBL739541

SCHEMBL739541

COCCCNc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.71
ALDH1A1 P00352 8/20 0.68
LMNA P02545 4/20 0.68
POLB P06746 2/20 0.68
HCAR3 P49019 1/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 6/20 0.56
PTGER4 P35408 1/20 0.56
RAB9A P51151 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL8313477 0.89 KAT2B (0.69) KAT2BALDH1A1LMNAPOLBKDM4E
SCHEMBL4858189 0.83 KAT2B (0.74) KAT2BALDH1A1POLBHCAR3KDM4E
SCHEMBL29580274 0.83 KAT2B (0.74) KAT2BALDH1A1POLBHCAR3KDM4E
SCHEMBL14906561 0.83 KAT2B (0.74) KAT2BALDH1A1LMNAPOLBHCAR3
SCHEMBL29416813 0.83 KAT2B (1.00) KAT2BALDH1A1LMNAPOLBMAPT
SCHEMBL10113238 0.83 KAT2B (1.00) KAT2BALDH1A1LMNAPOLBMAPT
SCHEMBL16151564 0.82 KAT2B (0.72) KAT2BALDH1A1LMNAPOLBHCAR3
SCHEMBL4863416 0.82 KAT2B (0.72) KAT2BALDH1A1LMNAPOLBHCAR3
Hydrochloric Acid SCHEMBL513245 0.82 KAT2B (1.00) KAT2BALDH1A1LMNAPOLBMAPT
SCHEMBL6023906 0.82 KAT2B (0.54) KAT2BALDH1A1LMNAPOLBHCAR3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed