SCHEMBL9382154

SCHEMBL9382154

Cc1c(F)c([N+](=O)[O-])cc2oc(=O)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 6/20 0.38
GRIN3B O60391 6/20 0.38
GRIN1 Q05586 6/20 0.38
GRIN2A Q12879 6/20 0.38
GRIN2B Q13224 6/20 0.38
GRIN2C Q14957 6/20 0.38
GRIN3A Q8TCU5 6/20 0.38
NOS1 P29475 2/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
MAOB P27338 1/20 0.36
EPHX2 P34913 1/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIA1 P42261 1/20 0.35

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
SCHEMBL9380376 0.76 NOS1 (0.41) NOS1NOS3NOS2EPHX2TSHR
SCHEMBL1027569 0.73 NOS1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21048201 0.73 ALDH1A1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6970927 0.72 KMO (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3039809 0.72 EPHX2 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15322823 0.72 SIRT2 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9954720 0.72 GPR35 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12501369 0.72 EPHX2 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15323118 0.72 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9676449 0.70 TDP1 (0.50) CYP3A4TSHRMAPTCYP1A2HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409484-B1 4,5,6,7-Tetrasubstituted benzoxazolones PFIZER (US) 1994-06-08 EP disclosed
US-5071863-A Antiallergens; antiinflammatory agents; enzyme inhibitors PFIZER INC. (US) 1991-12-10 US disclosed
EP-0409484-A2 4,5,6,7-Tetrasubstituted benzoxazolones PFIZER INC. (US) 1991-01-23 EP disclosed