SCHEMBL18985299

SCHEMBL18985299

O=C(/C=C\c1cccs1)Nc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.74
ALDH1A1 P00352 7/20 0.74
KMT2A Q03164 7/20 0.74
MEN1 O00255 6/20 0.74
SMN1; SMN2 Q16637 9/20 0.70
NPC1 O15118 8/20 0.70
KDM4E B2RXH2 5/20 0.70
MAPT P10636 7/20 0.68
MAPK1 P28482 3/20 0.68
LMNA P02545 3/20 0.64
HTT P42858 2/20 0.64
PSMD14 O00487 1/20 0.64
TP53 P04637 1/20 0.64
GLA P06280 1/20 0.64
CASP3 P42574 2/20 0.62
SENP8 Q96LD8 2/20 0.62
SENP7 Q9BQF6 2/20 0.62
SENP6 Q9GZR1 2/20 0.62
HCAR2 Q8TDS4 1/20 0.62
EGFR P00533 1/20 0.60

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
SCHEMBL18985301 1.00 RAB9A (0.74) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27731432 0.87 ALDH1A1 (0.62) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27752058 0.86 RAB9A (0.67) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27752021 0.86 RAB9A (0.67) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3040771 0.86 RAB9A (0.69) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27752045 0.86 RAB9A (0.67) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3040770 0.86 RAB9A (0.69) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL28774771 0.83 MAPT (0.72) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27752016 0.83 RAB9A (0.66) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27752050 0.83 RAB9A (1.00) RAB9AALDH1A1KMT2AMEN1SMN1; SMN2

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