SCHEMBL10775005

SCHEMBL10775005

CCCCCn1ncc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.43
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL27468547 0.96 SMN1; SMN2 (0.49) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL28534811 0.84 SMN1; SMN2 (0.64) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL9284026 0.80 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2APKMHPGD
SCHEMBL3998201 0.79 GAA (0.58) GAAMEN1KMT2APKMHPGD
SCHEMBL10388225 0.78 L3MBTL1 (0.41) SMN1; SMN2GAA
SCHEMBL10773058 0.78 PKM (0.39) SMN1; SMN2GAAPKMALDH1A1LMNA
Hydrochloric Acid SCHEMBL28543626 0.77 GAA (0.57) GAAMEN1KMT2APKMHPGD
SCHEMBL18359283 0.77 SMN1; SMN2 (0.47) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL12725370 0.76 TDP1 (0.42) SMN1; SMN2GAAMEN1KMT2APKM
SCHEMBL10772470 0.75 ALDH1A1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224094-A2 1-Aryl-pyrazole BAYER AG (DE) 1987-06-03 EP claimed
EP-0224094-A2 1-Aryl-pyrazole BAYER AG (DE) 1987-06-03 EP disclosed