SCHEMBL11255517

SCHEMBL11255517

COc1ccc2c(c1)Sc1ccc(C(C)[C]=O)cc1N2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 6/20 0.53
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.42
TP53 P04637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRA2A P08913 2/20 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
SCHEMBL2739325 0.86 SNCA (0.59) SNCALMNAMAPK1TP53KDM4E
Protizinic Acid SCHEMBL29359535 0.82 AKR1C3 (0.54) SNCALMNAMAPK1TP53KDM4E
Protizinic Acid SCHEMBL18309842 0.82 AKR1C3 (0.54) SNCALMNAMAPK1TP53KDM4E
Protizinic Acid SCHEMBL25022 0.82 AKR1C3 (0.54) SNCALMNAMAPK1TP53KDM4E
SCHEMBL7389154 0.78 SNCA (0.81) SNCALMNAMAPK1TP53KDM4E
SCHEMBL2760350 0.76 SNCA (0.64) SNCALMNAMAPK1TP53KDM4E
SCHEMBL7123151 0.74 SNCA (0.69) SNCALMNAMAPK1TP53KDM4E
Protizinic Acid SCHEMBL8208239 0.73 AKR1C3 (0.44) SNCALMNAMAPK1TP53KDM4E
SCHEMBL2706164 0.72 NOX1 (0.46) SNCALMNAMAPK1PKMMEN1
SCHEMBL31297952 0.71 MAOA (0.63) SNCALMNAMAPK1KDM4EPKM

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
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 US disclosed