SCHEMBL9769718

SCHEMBL9769718

CC(C)(C)c1on(-c2ccc(C(=O)O)cc2[N+](=O)[O-])c(=O)c1CCl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 2/20 0.43
CASP6 P55212 1/20 0.43
GFER P55789 1/20 0.41
HCAR3 P49019 10/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL9769756 0.87 TSHR (0.48) KMT2AMEN1TSHRCASP6GFER
SCHEMBL6932969 0.83 ALDH1A1 (0.55) KMT2AMEN1HCAR3LMNA
SCHEMBL9769726 0.82 KMT2A (0.44) KMT2AMEN1TSHRCASP6GFER
SCHEMBL9769684 0.80 HTT (0.47) KMT2AMEN1LMNA
SCHEMBL6931497 0.76 GAA (0.47) KMT2AMEN1LMNA
SCHEMBL9769696 0.69 GAA (0.55) KMT2AMEN1TSHRLMNA
SCHEMBL2292095 0.67 CASP6 (0.64) TSHRCASP6HCAR3LMNA
SCHEMBL3855174 0.67 CASP6 (0.64) KMT2AMEN1TSHRCASP6HCAR3
SCHEMBL6867539 0.67 CASP6 (0.55) TSHRCASP6HCAR3LMNA
SCHEMBL12292886 0.67 GAA (0.62) KMT2AMEN1TSHRCASP6GFER

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-5071994-A Intermediates for positive working photographic compounds, analgesics; anti-inflammatory agents FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed
US-5049477-A Image forming, etching, plating FUJI PHOTO FILM CO., LTD. (JP) 1991-09-17 US disclosed
US-4950764-A HERBICIDES, BACTERICIDES, ANALGESICS, ANTIINFLAMMATORY AGENT FUJI PHOTO FILM CO., LTD. (JP) 1990-08-21 US disclosed