SCHEMBL18985241

SCHEMBL18985241

O=C(O)C(=Cc1ccc([N+](=O)[O-])s1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.49
KMT2A Q03164 9/20 0.49
HTT P42858 8/20 0.49
SMN1; SMN2 Q16637 8/20 0.49
MEN1 O00255 8/20 0.49
MITF O75030 7/20 0.49
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 4/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
LMNA P02545 10/20 0.48
GAA P10253 1/20 0.48
POLB P06746 4/20 0.47
RAB9A P51151 3/20 0.47
HSP90AA1 P07900 2/20 0.47
RECQL P46063 1/20 0.47
HPGD P15428 2/20 0.45
ALOX12 P18054 1/20 0.45
NPC1 O15118 3/20 0.45
ESR1 P03372 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL7416417 0.91 MAPT (0.47) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL8309042 0.88 MAPT (0.44) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL8309038 0.88 MAPT (0.44) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL8308542 0.86 MAPT (0.49) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL8308539 0.86 MAPT (0.49) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL8045662 0.85 MAPT (0.50) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL9362287 0.80 MAPT (0.46) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL9362285 0.80 MAPT (0.46) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL11482894 0.79 MAPT (0.48) MAPTKMT2AHTTSMN1; SMN2MEN1
SCHEMBL10671410 0.77 MAPT (0.53) MAPTKMT2AHTTSMN1; SMN2MEN1

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