SCHEMBL9769756

SCHEMBL9769756

Cc1on(-c2ccc(C(=O)O)cc2[N+](=O)[O-])c(=O)c1CCl

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CASP6 P55212 1/20 0.45
HCAR3 P49019 9/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL9769718 0.87 KMT2A (0.43) TSHRKMT2AMEN1CASP6HCAR3
SCHEMBL9769726 0.84 KMT2A (0.44) TSHRKMT2AMEN1CASP6HCAR3
SCHEMBL9769700 0.80 LMNA (0.56) KMT2AMEN1HCAR3LMNA
SCHEMBL9769696 0.80 GAA (0.55) TSHRKMT2AMEN1LMNA
SCHEMBL12292886 0.71 GAA (0.62) TSHRKMT2AMEN1CASP6HCAR3
SCHEMBL6932969 0.70 ALDH1A1 (0.55) KMT2AMEN1HCAR3LMNA
SCHEMBL2292095 0.69 CASP6 (0.64) TSHRCASP6HCAR3LMNA
SCHEMBL177231 0.67 TSHR (1.00) TSHRKMT2AMEN1CASP6HCAR3
SCHEMBL30668892 0.67 TSHR (1.00) TSHRKMT2AMEN1CASP6HCAR3
SCHEMBL30657600 0.67 CASP6 (0.60) TSHRKMT2AMEN1CASP6HCAR3

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-5071994-A Intermediates for positive working photographic compounds, analgesics; anti-inflammatory agents FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed