SCHEMBL5800525

SCHEMBL5800525

NC(=O)CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MITF O75030 1/20 0.48
PRSS1 P07477 1/20 0.48
CYP1A2 P05177 1/20 0.48
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR35 Q9HC97 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL468372 0.86 ALDH1A1 (0.61) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL17038122 0.85 MAPT (0.56) MAPTKDM4EALDH1A1MAPK1KMT2A
SCHEMBL28504439 0.82 MAPT (0.53) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL2421954 0.82 MAPT (0.60) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL10932609 0.82 MAPT (0.63) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL8107611 0.80 MAPT (0.60) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL24993978 0.80 KAT2B (0.63) MAPTALDH1A1KMT2ALMNAPRSS1
SCHEMBL29557476 0.80 ALDH1A1 (0.51) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL1086052 0.80 KMT2A (0.58) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL10941513 0.80 MAPT (0.57) MAPTALDH1A1MAPK1MEN1KMT2A

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-2006067406-A1 IMMUNOMODULATORY PEPTIDE FRAGMENTS OF CD23 AND USES THEREFOR ISIS INNOVATION LIMITED (GB) 2006-06-29 WO disclosed