SCHEMBL7943394

SCHEMBL7943394

O=C(O)c1cc2c([N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.61
APEX1 P27695 1/20 0.60
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
AHR P35869 1/20 0.51
CHRNA7 P36544 1/20 0.51
KMT2A Q03164 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51

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
SCHEMBL395560 1.00 HRH4 (0.61) HRH4APEX1KDM4EHSD17B10ALDH1A1
SCHEMBL394982 0.86 HRH4 (0.60) HRH4APEX1ALDH1A1MEN1GAA
SCHEMBL8653049 0.82 HRH4 (0.59) HRH4APEX1KDM4EHSD17B10ALDH1A1
SCHEMBL397240 0.79 HRH4 (0.56) HRH4KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL28585049 0.78 HRH4 (0.48) HRH4APEX1KDM4EHSD17B10ALDH1A1
SCHEMBL7881774 0.76 HRH4 (0.53) HRH4APEX1MEN1GAAMAPK1
SCHEMBL7881772 0.76 HRH4 (0.53) HRH4APEX1KDM4EHSD17B10ALDH1A1
SCHEMBL1002018 0.76 TDP1 (0.52) HRH4HSD17B10ALDH1A1MEN1CYP1A2
SCHEMBL12778290 0.76 TDP1 (0.52) HRH4APEX1ALDH1A1HPGDMEN1
SCHEMBL29812003 0.76 TDP1 (0.52) HRH4APEX1ALDH1A1HPGDMEN1

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
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 US disclosed
EP-0773942-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1997-05-21 EP disclosed
WO-1996003400-A1 4-INDOLE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS PFIZER INC. (US) 1996-02-08 WO disclosed