SCHEMBL7952000

SCHEMBL7952000

O=[N+]([O-])C1=CNC=C([N+](=O)[O-])[CH]1

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GRIK1 P39086 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA3 P42263 1/20 0.30
GRIA4 P48058 1/20 0.30
BLM P54132 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIK2 Q13002 1/20 0.30
GRIK3 Q13003 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
SCHEMBL7952002 0.65
SCHEMBL2037894 0.65
SCHEMBL2040767 0.62
SCHEMBL651428 0.54 MEN1 (0.75) LMNACYP19A1ALDH1A1HPGDTSHR
SCHEMBL8688932 0.52 TSHR (0.55) LMNAALDH1A1GRIN2DGRIN3BCYP1A2
SCHEMBL212845 0.52 CYP19A1 (0.81) LMNACYP19A1ALDH1A1CYP1A2CYP3A4
SCHEMBL1194020 0.52 TSHR (0.45) LMNACYP19A1ALDH1A1CYP3A4TSHR
Hydrochloric Acid SCHEMBL30978214 0.50 MEN1 (0.67) LMNACYP19A1ALDH1A1HPGDTSHR
SCHEMBL1476442 0.50 MEN1 (0.67) LMNACYP19A1ALDH1A1HPGDTSHR
SCHEMBL14916717 0.48 MEN1 (0.86) ALDH1A1HPGDTSHR

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
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed