SCHEMBL7682500

SCHEMBL7682500

O=C(Oc1cc([N+](=O)[O-])ccc1[N+](=O)[O-])c1cc2ccccc2oc1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.60
MAOA P21397 3/20 0.59
MAOB P27338 2/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 3/20 0.58
MAPT P10636 2/20 0.58
ALDH1A1 P00352 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ATM Q13315 1/20 0.56
HSP90AA1 P07900 1/20 0.54
AGTR1 P30556 1/20 0.54
HPGD P15428 2/20 0.52
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
MGAM O43451 1/20 0.51
GAA P10253 1/20 0.51
SI P14410 1/20 0.51
MGAM2 Q2M2H8 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL7682533 0.88 MEN1 (0.60) POLBMAOAMAOBMEN1KMT2A
SCHEMBL7682335 0.86 MAPT (0.58) POLBMAOAMAOBMEN1KMT2A
SCHEMBL18752252 0.85 CA12 (0.57) POLBMAOAMAOBMEN1KMT2A
SCHEMBL18752250 0.85 CA12 (0.56) POLBMAOAMAOBKMT2AKDM4E
SCHEMBL7675741 0.84 F2 (0.60) POLBMAOAMAOBMAPTCA12
SCHEMBL7681261 0.82 POLB (0.55) POLBMAOAMAOBKMT2AKDM4E
SCHEMBL20582728 0.79 POLB (0.80) POLBMAOAMAOBMEN1KMT2A
SCHEMBL6897218 0.77 POLB (0.61) POLBMAOAMAOBMEN1KMT2A
SCHEMBL18752273 0.76 MEN1 (0.56) POLBMAOBMEN1KMT2AATM
SCHEMBL7679254 0.75 F2 (0.68) POLBMEN1KMT2AATMCA12

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-6355658-B1 COUMARIN ESTERS WITH ETHER GROUPS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-03-12 US disclosed