SCHEMBL9564541

SCHEMBL9564541

O=c1[nH]c2ccccc2cc1NS(=O)(=O)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.63
GRIA2 P42262 1/20 0.63
GRIA3 P42263 1/20 0.63
GRIA4 P48058 1/20 0.63
BRD4 O60885 1/20 0.45
DAO P14920 1/20 0.45
DDO Q99489 1/20 0.45
CA2 P00918 5/20 0.44
KDR P35968 2/20 0.43
CHEK1 O14757 1/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 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
SCHEMBL9564528 0.82 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL9564531 0.82 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4DAO
SCHEMBL9564526 0.82 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4DAO
SCHEMBL9564538 0.81 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4DAO
SCHEMBL9564553 0.80 BRD4 (0.53) BRD4DAODDOCA2KDR
SCHEMBL9564533 0.78 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4CA2
SCHEMBL9564532 0.78 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4DAO
SCHEMBL9564535 0.78 STK33 (0.55) BRD4DAODDOKDRCHEK1
SCHEMBL9564552 0.76 SMN1; SMN2 (0.54) GRIA1GRIA2GRIA3GRIA4CHEK1
SCHEMBL9564547 0.76 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4CHEK1

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
EP-0542609-A1 3-sulfonylamino-2-(1H)-quinolinones and 7-aza derivatives as excitatory amino acids antagonists ADIR ET COMPAGNIE (FR) 1993-05-19 EP disclosed