SCHEMBL22980975

SCHEMBL22980975

CN(N)C(=O)c1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
PLAU P00749 2/20 0.53
ACHE P22303 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
EGFR P00533 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
JAK1 P23458 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL7011836 0.85 CES2 (0.61) CES2CES1ESR1ESR2PLAU
SCHEMBL15821561 0.83 CES2 (0.59) CES2CES1ESR1ESR2PLAU
SCHEMBL3302319 0.83 CES2 (0.59) CES2CES1ESR1ESR2PLAU
SCHEMBL27998792 0.82 CES2 (0.53) CES2CES1ESR1ESR2PLAU
SCHEMBL2470632 0.79 PLAU (0.75) CES2CES1ESR1ESR2PLAU
SCHEMBL15946341 0.79 CES2 (0.53) CES2CES1ESR1ESR2PLAU
SCHEMBL11848661 0.79 ESR1 (0.59) CES2CES1ESR1ESR2PLAU
SCHEMBL1515914 0.79 CES2 (0.53) CES2CES1ESR1ESR2PLAU
SCHEMBL17197988 0.79 CES2 (0.53) CES2CES1ESR1ESR2ACHE
SCHEMBL22922867 0.77 CES2 (0.52) CES2CES1ESR1ESR2PLAU

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
WO-2021029158-A1 SULFONAMIDE COMPOUND, NONIONIC PHOTOACID GENERATOR, AND PHOTOLITHOGRAPHY RESIN COMPOSITION サンアプロ株式会社 2021-02-18 WO disclosed