SCHEMBL19003357

SCHEMBL19003357

O=C(/C=C/c1ccc(Br)s1)Nc1cncc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.42
RAB9A P51151 11/20 0.40
NPC1 O15118 9/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
LMNA P02545 4/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 4/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
PSMD14 O00487 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 5/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
STAT1 P42224 1/20 0.36

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
SCHEMBL19003363 0.84 RAB9A (0.52) EGFRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19003356 0.74 TRPV1 (0.49) EGFRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19003261 0.72 MMP1 (0.59) EGFRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19003464 0.71 EGFR (0.53) EGFRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19003251 0.70 EGFR (0.68) EGFRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19003255 0.69 EGFR (0.47) EGFRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19003250 0.69 MAPT (0.51) EGFRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19003274 0.68 MMP1 (0.58) EGFRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19003362 0.68 RAB9A (0.46) EGFRRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL19003254 0.68 EGFR (0.53) EGFRRAB9ANPC1SMN1; SMN2LMNA

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