SCHEMBL19003259

SCHEMBL19003259

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
LMNA P02545 6/20 0.50
CXCR2 P25025 3/20 0.50
CXCR1 P25024 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MITF O75030 1/20 0.50
PAX8 Q06710 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
XBP1 P17861 1/20 0.47
TLR9 Q9NR96 1/20 0.47
KCNMA1 Q12791 1/20 0.46
HTT P42858 3/20 0.45

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
SCHEMBL19003458 0.87 MAPT (0.65) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL19003256 0.85 ALDH1A1 (0.64) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL18985232 0.84 ALDH1A1 (0.54) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL19003459 0.83 CXCR1 (0.51) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL19003255 0.81 EGFR (0.47) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL19003258 0.81 TRPV1 (0.61) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL17434438 0.76 ALDH1A1 (0.68) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL17434434 0.76 ALDH1A1 (0.68) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL17996441 0.75 ALDH1A1 (0.56) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL3050601 0.73 MAPT (0.61) MEN1KMT2AMAPTSMN1; SMN2RAB9A

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