SCHEMBL6154147

SCHEMBL6154147

OC(=C(O)c1nccs1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBBP9 O75884 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PLA2G4A P47712 1/20 0.44
ALDH1A1 P00352 3/20 0.44
PDPK1 O15530 1/20 0.44
CES1 P23141 1/20 0.43
SCD O00767 1/20 0.41
PLA2G7 Q13093 1/20 0.41
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GRM5 P41594 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TBXAS1 P24557 1/20 0.38
CASP3 P42574 1/20 0.38

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
SCHEMBL20529933 0.78 RBBP9 (0.48) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL2008703 0.78 PLA2G7 (0.57) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL6154144 0.78 RBBP9 (0.48) RBBP9NPC1RAB9APLA2G4AALDH1A1
Bromide SCHEMBL27504054 0.77 PLA2G7 (0.56) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL2009037 0.76 RBBP9 (0.49) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL2009038 0.76 RBBP9 (0.49) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL6142531 0.76 RBBP9 (0.46) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL6142534 0.76 RBBP9 (0.46) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL5610849 0.74 RBBP9 (0.44) RBBP9NPC1RAB9APLA2G4AALDH1A1
SCHEMBL9346822 0.73 PLA2G4A (0.49) RBBP9NPC1RAB9APLA2G4AALDH1A1

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
EP-1103180-B1 Hydroxyphenylvinylthizoles CIBA SC HOLDING AG (CH) 2005-01-12 EP claimed