SCHEMBL14035262

SCHEMBL14035262

Cc1c(N=O)cc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
CASP6 P55212 1/20 0.49
TPMT P51580 1/20 0.48
HCAR3 P49019 6/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL503451 0.84 TSHR (0.65) TSHRCASP6TPMTHCAR3LMNA
SCHEMBL3582465 0.80 TSHR (0.64) TSHRCASP6TPMTHCAR3LMNA
SCHEMBL2903129 0.78 TPMT (0.64) TSHRCASP6TPMTHCAR3LMNA
SCHEMBL2902973 0.77 LMNA (0.60) TSHRCASP6TPMTHCAR3LMNA
SCHEMBL450228 0.77 TSHR (0.56) TSHRCASP6TPMTHCAR3LMNA
SCHEMBL23699540 0.77 TSHR (0.56) TSHRCASP6TPMTHCAR3LMNA
SCHEMBL30858307 0.77 TSHR (0.56) TSHRCASP6TPMTHCAR3LMNA
SCHEMBL2671570 0.77 TSHR (0.56) TSHRCASP6TPMTHCAR3LMNA
SCHEMBL2894998 0.77 TSHR (0.56) TSHRCASP6TPMTHCAR3LMNA
SCHEMBL2720816 0.77 TSHR (0.56) TSHRCASP6TPMTHCAR3LMNA

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
EP-1594862-B1 METHODS OF MAKING 6-[ (4,5-DIHYDRO-1H-IMIDAZOL-2-YL)AMINO-] -7-METHYL-1H-BENZIMIDAZOLE-4-CARBONITRILE AND ITS PREFERRED SALT FORM UNIV NEBRASKA (US) 2008-11-19 EP disclosed