SCHEMBL7682533

SCHEMBL7682533

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ATM Q13315 2/20 0.57
POLB P06746 4/20 0.56
KDM4E B2RXH2 6/20 0.55
ALDH1A1 P00352 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSP90AA1 P07900 1/20 0.53
AGTR1 P30556 1/20 0.53
HPGD P15428 2/20 0.51
MAOA P21397 2/20 0.51
IDO1 P14902 1/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 1/20 0.48
MAOB P27338 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7682500 0.88 POLB (0.60) MEN1KMT2AATMPOLBKDM4E
SCHEMBL7676641 0.86 F12 (0.50) MEN1KMT2AATMPOLBMAOA
SCHEMBL7675773 0.85 F2 (0.59) POLB
SCHEMBL7681946 0.84 MEN1 (0.67) MEN1KMT2AATMPOLBKDM4E
SCHEMBL7681986 0.82 POLB (0.47) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL7675721 0.82 MEN1 (0.65) MEN1KMT2AATMPOLBKDM4E
SCHEMBL18752273 0.77 MEN1 (0.56) MEN1KMT2AATMPOLBHSP90AA1
SCHEMBL7679254 0.77 F2 (0.68) MEN1KMT2AATMPOLB
SCHEMBL15733119 0.75 MEN1 (0.72) MEN1KMT2AATMPOLBKDM4E
SCHEMBL7682335 0.74 MAPT (0.58) MEN1KMT2APOLBKDM4EALDH1A1

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