SCHEMBL6806413

SCHEMBL6806413

O=CCSc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
SOD1 P00441 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
TEAD1 P28347 1/20 0.42

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
SCHEMBL5542119 0.78 KDM4E (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10424504 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EHSD17B10MAPT
SCHEMBL2558169 0.77 MAOA (0.39) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL8746031 0.77 CA2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17030474 0.77 SMN1; SMN2 (0.48) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL5854053 0.77 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2554286 0.77 ALDH1A1 (0.43) ALDH1A1KMT2ARAB9AMEN1NPC1
SCHEMBL6806423 0.77 ALDH1A1 (0.42) ALDH1A1DAOMAPTIDO1HTT
SCHEMBL946878 0.76 ALDH1A1 (0.52) ALDH1A1RAB9ANPC1HSD17B10SMN1; SMN2
SCHEMBL9171909 0.74 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1HSD17B10SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004091724-A1 ANTHRANILIC ACID DERIVATIVES USEFUL IN TREATING INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2004-10-28 WO claimed
WO-2004091724-A1 ANTHRANILIC ACID DERIVATIVES USEFUL IN TREATING INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2004-10-28 WO disclosed