SCHEMBL8303323

SCHEMBL8303323

Cn1nc(-c2cc([N+](=O)[O-])c(C#N)cc2F)c(Cl)c1OC(F)F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.35
GRIA1 P42261 2/20 0.34
GRIA2 P42262 2/20 0.34
GRIA3 P42263 2/20 0.34
GRIA4 P48058 2/20 0.34
GRM6 O15303 1/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
PIN1 Q13526 1/20 0.30

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
SCHEMBL7881661 0.87
SCHEMBL7749240 0.87 ESPL1 (0.30)
SCHEMBL7891112 0.86 F2 (0.31)
SCHEMBL7162190 0.85 EGLN2 (0.33)
SCHEMBL7887336 0.85 MAPT (0.34) MAPT
SCHEMBL8296745 0.84 ALDH1A1 (0.33)
SCHEMBL7707608 0.83 VCAM1 (0.43) VCAM1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8298154 0.82 KHK (0.34)
SCHEMBL8299245 0.82 AR (0.30)
SCHEMBL8429490 0.82 AR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906285-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AG (DE) 1999-04-07 EP claimed
WO-1997046535-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO claimed
EP-0906285-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AG (DE) 1999-04-07 EP disclosed
WO-1997046535-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed