SCHEMBL27588013

SCHEMBL27588013

CC(C)c1csc(/C=C/c2cccc(NC(=O)c3cocc3C(=O)O)c2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.66
MAPT P10636 3/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HPGD P15428 1/20 0.41
PTGS1 P23219 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C9 P11712 1/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
SNCA P37840 2/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL5776363 1.00 ALB (0.66) ALBMAPTGLAMEN1KMT2A
SCHEMBL5778350 0.91 ALB (0.57) ALBMAPTGLAMEN1KMT2A
SCHEMBL5774563 0.84 ALB (0.69) ALBMAPTGLAMEN1KMT2A
SCHEMBL5774449 0.82 ALB (0.64) ALBMAPTGLAMEN1KMT2A
SCHEMBL5776761 0.81 ALB (0.59) ALBMAPTGLAMEN1KMT2A
SCHEMBL5777402 0.81 ALB (0.59) ALBMAPTGLAMEN1KMT2A
SCHEMBL9262889 0.80 ALB (1.00) ALBMAPTMEN1KMT2AALDH1A1
SCHEMBL9262876 0.80 ALB (1.00) ALBMAPTMEN1KMT2AALDH1A1
SCHEMBL5780106 0.78 ALB (0.57) ALBMAPTMEN1KMT2AALDH1A1
SCHEMBL27569880 0.78 ALB (0.57) ALBMAPTMEN1KMT2AALDH1A1

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
CN-1414951-A Drug discharge pump inhibitor FUNDAMENTAL THERAPEUTICAL INC (US) 2003-04-30 CN disclosed