SCHEMBL2649285

SCHEMBL2649285

CCOC(=O)C1C=NC(C)=C(c2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 6/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
PRKCZ Q05513 1/20 0.45
AR P10275 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL2649291 0.87 MAPT (0.50) RAB9AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2649991 0.83 LMNA (0.46) MAPTALDH1A1SMN1; SMN2LMNAPRKCZ
SCHEMBL2649211 0.83 RAB9A (0.43) RAB9AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL2648348 0.82 ALDH1A1 (0.47) RAB9AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL2651383 0.80 KDM4E (0.39) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL6974946 0.73 MAPT (0.40) RAB9AGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL2649878 0.72 ALDH1A1 (0.45) GAAMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2649623 0.72 CNR2 (0.43) RXFP1
SCHEMBL28362521 0.69 KCNJ1 (0.64) RAB9AGAAMAPTALDH1A1LMNA
SCHEMBL6985104 0.68 MAPT (0.38) GAAMAPTALDH1A1SMN1; SMN2LMNA

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-1064283-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-01-03 EP disclosed
WO-1999048892-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-09-30 WO disclosed