SCHEMBL19003250

SCHEMBL19003250

CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Br)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
HTT P42858 4/20 0.51
LMNA P02545 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 5/20 0.46
EGFR P00533 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
MITF O75030 1/20 0.44
MMP1 P03956 2/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL19003248 0.89 LMNA (0.56) MAPTMEN1KMT2AHTTLMNA
SCHEMBL19003264 0.85 NR4A1 (0.56) MAPTMEN1KMT2AHTTLMNA
SCHEMBL19003274 0.85 MMP1 (0.58) MAPTMEN1KMT2AHTTLMNA
SCHEMBL19003283 0.84 RAB9A (0.52) MAPTMEN1KMT2AHTTLMNA
SCHEMBL19003257 0.83 KDM4E (0.49) MAPTMEN1KMT2AHTTLMNA
SCHEMBL19003244 0.82 MAOB (0.51) MAPTMEN1KMT2AHTTLMNA
SCHEMBL19003253 0.82 MAOB (0.56) MAPTMEN1KMT2AHTTLMNA
SCHEMBL19003307 0.82 EGFR (0.60) MAPTMEN1KMT2AHTTLMNA
SCHEMBL18985271 0.82 CA12 (0.54) MAPTMEN1KMT2AHTTLMNA
SCHEMBL19003310 0.80 ALDH1A1 (0.59) MAPTMEN1KMT2AHTTLMNA

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