SCHEMBL7412423

SCHEMBL7412423

CC[CH]OC(=O)c1c(C)[nH]c(=O)c([N+](=O)[O-])c1S(=O)(=O)CC1CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
AR P10275 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 2/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL8120212 0.87 POLB (0.38) POLBKMT2AMEN1ARSMN1; SMN2
SCHEMBL7412766 0.83 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL8120011 0.81 KMT2A (0.39) POLBKMT2AMEN1ARSMN1; SMN2
SCHEMBL8121024 0.79 TUBB4A (0.39) POLBKMT2AMEN1ARSMN1; SMN2
SCHEMBL7410792 0.77 POLB (0.44) POLBKMT2AMEN1ARSMN1; SMN2
SCHEMBL8113585 0.72 POLB (0.40) POLBKMT2AMEN1ARSMN1; SMN2
SCHEMBL8113354 0.69 ALDH1A1 (0.39) POLBKMT2AMEN1ARSMN1; SMN2
SCHEMBL7362798 0.61 POLB (0.39) POLBKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL9268773 0.60 POLB (0.71) POLBARSMN1; SMN2ALDH1A1
SCHEMBL30433473 0.59 POLB (0.66) POLBKMT2AARSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082324-A4 IMIDAZOPYRIDINE THROMBIN INHIBITORS MERCK & CO INC (US) 2002-01-02 EP disclosed
EP-1082324-A1 IMIDAZOPYRIDINE THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-03-14 EP disclosed
EP-0971891-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2000-04-19 EP disclosed
EP-0971891-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2000-01-19 EP disclosed
WO-1999061442-A1 IMIDAZOPYRIDINE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1999-12-02 WO disclosed
WO-1998031670-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-07-23 WO disclosed