SCHEMBL19003363

SCHEMBL19003363

O=C(/C=C/c1ccc(Br)s1)Nc1cccc(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
SMN1; SMN2 Q16637 7/20 0.52
NPC1 O15118 7/20 0.52
LMNA P02545 4/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HTT P42858 2/20 0.52
PSMD14 O00487 1/20 0.52
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
ALDH1A1 P00352 8/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
EGFR P00533 1/20 0.47
MAPK1 P28482 1/20 0.45
SORT1 Q99523 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL19003357 0.84 EGFR (0.42) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL19003251 0.76 EGFR (0.68) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL19003261 0.75 MMP1 (0.59) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL18985272 0.73 MAOB (0.63) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL19003464 0.72 EGFR (0.53) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL19003354 0.70 MMP1 (0.62) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL19003255 0.70 EGFR (0.47) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL19003356 0.70 TRPV1 (0.49) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL19003250 0.69 MAPT (0.51) RAB9ASMN1; SMN2NPC1LMNAMAPT
SCHEMBL19003274 0.69 MMP1 (0.58) RAB9ASMN1; SMN2NPC1LMNAMAPT

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