SCHEMBL9314768

SCHEMBL9314768

CCOC(=O)Cc1ccc([N+](=O)[O-])cc1.O=C(O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 2/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
CYP4Z1 Q86W10 1/20 0.48
KCNJ1 P48048 1/20 0.47
KCNH2 Q12809 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.46

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
SCHEMBL398701 0.94 LMNA (0.73) LMNAMEN1KMT2AHTTMAPT
SCHEMBL1984377 0.92 LMNA (0.71) LMNAMEN1KMT2AHTTMAPT
SCHEMBL28242786 0.87 LMNA (0.52) LMNAKMT2AMAPTALDH1A1CYP1A2
SCHEMBL8024467 0.86 LMNA (0.64) LMNAMEN1KMT2AHTTMAPT
SCHEMBL5034285 0.86 CYP4Z1 (0.59) LMNAHTTMAPTALDH1A1KDM4E
SCHEMBL30643815 0.84 CYP2C19 (0.64) LMNAMEN1KMT2AHTTMAPT
SCHEMBL76204 0.84 CYP2C19 (0.64) LMNAMEN1KMT2AHTTMAPT
SCHEMBL19332232 0.83 LMNA (0.61) LMNAMEN1KMT2AHTTMAPT
SCHEMBL7524136 0.83 MAOB (0.64) LMNAMEN1KMT2AHTTMAPT
SCHEMBL19346040 0.82 LMNA (0.60) LMNAMEN1KMT2AHTTMAPT

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-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed