SCHEMBL27468547

SCHEMBL27468547

CCCCn1ncc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL10775005 0.96 SMN1; SMN2 (0.48) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL28534811 0.85 SMN1; SMN2 (0.64) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL3998201 0.80 GAA (0.58) GAAMEN1KMT2APKMHPGD
Hydrochloric Acid SCHEMBL28543626 0.79 GAA (0.57) GAAMEN1KMT2APKMHPGD
SCHEMBL18359283 0.78 SMN1; SMN2 (0.47) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL2373014 0.76 KMT2A (0.45) SMN1; SMN2KMT2APKMHTTALDH1A1
SCHEMBL2770680 0.76 MEN1 (0.46) SMN1; SMN2GAAMEN1KMT2AALDH1A1
SCHEMBL22119164 0.75 SMN1; SMN2 (0.44) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL12725321 0.75 TDP1 (0.43) SMN1; SMN2GAAMEN1KMT2APKM
Dimethylformamide SCHEMBL28801531 0.75 GAA (0.41) SMN1; SMN2GAAMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229349-C Pyridine-3-carboxylic acid derivative PFIZER (US) 2005-11-30 CN disclosed
CN-1495169-A Pyridine-3-carboxylic acid derivative 2004-05-12 CN disclosed
CN-1134442-C Pyrazolopyrimidinone cGMP PDE5 inhibitor, preparation method and application thereof and intermediate �������۸��¼��������������ι�˾ 2004-01-14 CN disclosed
CN-1305478-A Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER (US) 2001-07-25 CN disclosed