SCHEMBL11545923

SCHEMBL11545923

CC(OC(=O)c1cccc(Br)c1)n1ncc(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
PARP1 P09874 1/20 0.39
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 2/20 0.36
RECQL P46063 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 2/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL11543960 0.82 MAPT (0.38) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11549663 0.82 CA12 (0.45) KMT2AMEN1ALDH1A1GAANFKB1
SCHEMBL11573902 0.77 CRHBP (0.36) GAANFKB1NFKB2RELASMN1; SMN2
SCHEMBL11545925 0.76 PAX8 (0.44) KMT2AMEN1ALDH1A1GAAPARP1
SCHEMBL11544998 0.73 ALOX5 (0.36) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL11544869 0.72 ADRA1D (0.39) ALDH1A1GAAPARP1SMN1; SMN2MAPT
SCHEMBL4514092 0.69 SMN1; SMN2 (0.56) KMT2AMEN1ALDH1A1GAAPARP1
SCHEMBL11547934 0.68 LMNA (0.34) KMT2AALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL11546538 0.67 LMNA (0.33) KMT2AALDH1A1MAPTPOLB
SCHEMBL11544979 0.67 LMNA (0.34) KMT2AMEN1ALDH1A1GAAMAPT

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-4145554-A BACTERICIDES, MICROBIOCIDES, HERBICIDES, PARASITICDES ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed