SCHEMBL8190013

SCHEMBL8190013

CCOC(=O)CNc1cc(F)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.64
MAPT P10636 8/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.47
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPK1 P28482 2/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTGER4 P35408 1/20 0.44
POLB P06746 2/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL9863059 0.93 LMNA (0.62) LMNAMAPTKDM4EGLAALDH1A1
SCHEMBL8194578 0.92 LMNA (0.61) LMNAMAPTKDM4EGLAALDH1A1
SCHEMBL8197126 0.90 LMNA (0.59) LMNAMAPTKDM4EGLAALDH1A1
SCHEMBL8191379 0.90 LMNA (0.59) LMNAMAPTKDM4EGLAALDH1A1
SCHEMBL30724415 0.89 LMNA (0.58) LMNAMAPTKDM4EGLAALDH1A1
SCHEMBL8191101 0.89 LMNA (0.58) LMNAMAPTKDM4EGLAALDH1A1
SCHEMBL7811023 0.87 GLA (0.57) LMNAMAPTKDM4EGLAALDH1A1
SCHEMBL8194530 0.87 LMNA (0.56) LMNAMAPTKDM4EGLAALDH1A1
SCHEMBL27461074 0.86 LMNA (0.55) LMNAMAPTKDM4EGLAALDH1A1
SCHEMBL8196433 0.84 LMNA (0.72) LMNAMAPTKDM4EGLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096743-A 1,2,3,4-tetrahydroquinoxalinedione derivative YAMANOUCHI PHARMACEUTICALS CO., LTD. (JP) 2000-08-01 US disclosed
EP-0784054-A1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-16 EP disclosed