SCHEMBL16377152

SCHEMBL16377152

O=C1Nc2ccc(F)cc2C1(O)C[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.45
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 2/20 0.42
AKR1B1 P15121 3/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
NQO2 P16083 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL16377140 0.84 ALDH1A1 (0.46) PGRCYP2C19CYP1A2MAPTIDO1
SCHEMBL16377139 0.83 ALDH1A1 (0.54) PGRCYP2C19MAPTIDO1AKR1B1
SCHEMBL16377138 0.83 TP53 (0.53) PGRCYP2C19MAPTKMT2AIDO1
SCHEMBL16381654 0.79 CHRM5 (0.55) PGRMAPTIDO1SMN1; SMN2ALDH1A1
SCHEMBL16348696 0.79 GAA (0.54) MAPTKMT2AIDO1HTTSMN1; SMN2
SCHEMBL12440856 0.77 IDO1 (0.54) CYP2C19CYP1A2MAPTKMT2AIDO1
SCHEMBL700627 0.77 IDO1 (0.69) CYP2C19CYP1A2MAPTKMT2AIDO1
SCHEMBL699106 0.74 IDO1 (0.48) CYP2C19CYP1A2MAPTKMT2AIDO1
SCHEMBL25313851 0.73 CYP1A2 (0.53) PGRCYP2C19CYP1A2MAPTKMT2A
SCHEMBL30132814 0.73 CYP1A2 (0.53) PGRCYP2C19CYP1A2MAPTKMT2A

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
US-8933248-B2 3-substituted-3-hydroxy oxindole derivatives and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-13 US disclosed
US-8933248-B2 3-substituted-3-hydroxy oxindole derivatives and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-13 US disclosed