SCHEMBL19003465

SCHEMBL19003465

O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(-n2ccnc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.65
LMNA P02545 8/20 0.65
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
HTT P42858 6/20 0.65
NPC1 O15118 5/20 0.65
SMN1; SMN2 Q16637 8/20 0.55
RAB9A P51151 7/20 0.55
TP53 P04637 2/20 0.55
MITF O75030 6/20 0.54
XBP1 P17861 1/20 0.52
TLR9 Q9NR96 1/20 0.52
PAX8 Q06710 1/20 0.50
ALDH1A1 P00352 9/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
EGFR P00533 1/20 0.43
PKM P14618 1/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL19003239 0.79 MAPT (0.81) MAPTLMNAMEN1KMT2AHTT
SCHEMBL3484458 0.79 MAPT (0.77) MAPTLMNAMEN1KMT2AHTT
SCHEMBL3484460 0.79 MAPT (0.77) MAPTLMNAMEN1KMT2AHTT
SCHEMBL19003455 0.79 MAPT (0.77) MAPTLMNAMEN1KMT2AHTT
SCHEMBL19003467 0.79 PORCN (0.54) MEN1KMT2ANPC1SMN1; SMN2RAB9A
SCHEMBL19003457 0.77 MAPT (0.72) MAPTLMNAMEN1KMT2AHTT
SCHEMBL19003234 0.72 MAPT (0.69) MAPTLMNAMEN1KMT2AHTT
SCHEMBL10363643 0.71 CYP3A4 (0.53) MAPTLMNAKMT2AHTTNPC1
SCHEMBL17509589 0.70 KMT2A (0.57) MAPTLMNAMEN1KMT2AHTT
SCHEMBL31457418 0.70 KMT2A (0.57) MAPTLMNAMEN1KMT2AHTT

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