SCHEMBL8724009

SCHEMBL8724009

CCOC(=O)c1cc([N+](=O)[O-])sc1N=Nc1ccc(N(CC)Cc2ccc(S(=O)(=O)F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MAPK1 P28482 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL8724005 1.00 LMNA (0.39) LMNAALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL8725193 0.91 LMNA (0.38) LMNAALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL7764296 0.83 ALDH1A1 (0.39) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL7764293 0.81 LMNA (0.42) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL7764305 0.81 LMNA (0.37) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL7764302 0.79 LMNA (0.40) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL7768401 0.79 MAOB (0.33) MAPTSMN1; SMN2MAPK1TDP1L3MBTL1
SCHEMBL7772369 0.77 LMNA (0.36) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL10119042 0.76 ALDH1A1 (0.41) LMNAALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL7772368 0.76 ALDH1A1 (0.37) LMNAALDH1A1MAPTSMN1; SMN2GAA

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-5739299-A GOOD WET FASTNESS AND LIGHT FASTNESS PROPERTIES ZENECA LIMITED (GB) 1998-04-14 US disclosed