SCHEMBL13801545

SCHEMBL13801545

O=C(O)c1ccc(CBr)c([N+](=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.47
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
HCAR3 P49019 14/20 0.41
APEX1 P27695 1/20 0.41
ACE2 Q9BYF1 1/20 0.38

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
SCHEMBL40979 0.85 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL3980824 0.77 TSHR (0.46) CASP6TSHRACE2
SCHEMBL30028599 0.77 TSHR (0.46) CASP6TSHRACE2
SCHEMBL2259867 0.77 TSHR (0.59) TSHRACE2
SCHEMBL14542167 0.76 TSHR (0.56) CASP6TSHRLMNAHCAR3
SCHEMBL7643058 0.75 CASP6 (0.64) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL928246 0.74 TTR (0.47) TSHRACE2
SCHEMBL6448957 0.74 KDM4E (0.47) TSHRACE2
SCHEMBL27411911 0.73 CASP6 (0.62) CASP6TSHRLMNAHCAR3APEX1
SCHEMBL7601589 0.73 LMNA (0.71) CASP6TSHRLMNAHCAR3APEX1

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-7544794-B1 Method for sequencing DNA and RNA by synthesis BENNER STEVEN ALBERT 2009-06-09 US disclosed