SCHEMBL19003458

SCHEMBL19003458

O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.65
MEN1 O00255 10/20 0.65
KMT2A Q03164 10/20 0.65
LMNA P02545 7/20 0.65
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
MITF O75030 5/20 0.65
PAX8 Q06710 1/20 0.65
NPC1 O15118 5/20 0.61
XBP1 P17861 1/20 0.61
TLR9 Q9NR96 1/20 0.61
HTT P42858 6/20 0.60
TP53 P04637 1/20 0.56
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
KCNMA1 Q12791 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL19003259 0.87 MEN1 (0.52) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL18985212 0.84 ALDH1A1 (0.65) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL18985214 0.84 ALDH1A1 (0.65) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL19003459 0.84 CXCR1 (0.51) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL18985232 0.81 ALDH1A1 (0.54) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL17434434 0.77 ALDH1A1 (0.68) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17434438 0.77 ALDH1A1 (0.68) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL17996441 0.76 ALDH1A1 (0.56) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL29530846 0.74 MAPT (0.75) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL18985269 0.73 ALDH1A1 (0.65) MAPTMEN1KMT2ALMNARAB9A

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-2017102014-A1 PROPENAMIDE THIOPHENE DERIVATIVES AS FLAVIVIRUS INHIBITORS AND THEIR USE UNIVERSITE D'AIX-MARSEILLE (FR) 2017-06-22 WO disclosed