SCHEMBL2877327

SCHEMBL2877327

O=C(O)c1ccnc(C(=O)O)c1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
ASPH Q12797 7/20 1.00
KDM8 Q8N371 7/20 1.00
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPK1 P28482 3/20 0.51
MAPT P10636 3/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AKR1C3 P42330 4/20 0.50
AKR1C2 P52895 4/20 0.50
ALDH1A1 P00352 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CASP7 P55210 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
AKR1B1 P15121 2/20 0.44
AKR1C4 P17516 2/20 0.44

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
SCHEMBL2875877 1.00 KDM4E (1.00) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL13444610 0.80 KDM4E (0.66) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL2880402 0.79 KDM4E (1.00) KDM4EASPHKDM8MAPTALDH1A1
SCHEMBL2871383 0.76 KDM4E (0.62) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL2871381 0.76 KDM4E (0.62) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL10515386 0.76 KDM4E (0.62) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL453183 0.76 AKR1C3 (0.68) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL6748839 0.75 KDM4E (0.60) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL2875066 0.75 KDM4E (0.66) KDM4EASPHKDM8KMT2AMAPT
SCHEMBL22720165 0.75 KDM4E (0.60) KDM4EASPHKDM8MEN1KMT2A

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
WO-2010043866-A2 HISTONE LYSINE DEMETHYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2010-04-22 WO disclosed